1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-chloro-5-sulfamoylbenzoate

2.1.2 InChI

InChI=1S/C8H8ClNO4S/c1-14-8(11)6-4-5(15(10,12)13)2-3-7(6)9/h2-4H,1H3,(H2,10,12,13)

2.1.3 InChI Key

UJGXIASTRIMVRT-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 61508-36-9

2. Schembl1185698

3. Dtxsid70553331

4. Ujgxiastrimvrt-uhfffaoysa-n

5. Gs1168

6. Akos002671090

7. Da-20093

8. Methyl 5-(aminosulfonyl)-2-chlorobenzoate

9. En300-270496

10. F2126-0046

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₈H₈ClNO₄S
Molecular Weight	249.67 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	94.8
Heavy Atom Count	15
Formal Charge	0
Complexity	337
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

GS1168