4-chloro-2-(methylsulfamoylamino)benzoic acid

C8H9ClN2O4S — CID 114805243

IUPAC4-chloro-2-(methylsulfamoylamino)benzoic acid
SMILESCNS(=O)(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C8H9ClN2O4S/c1-10-16(14,15)11-7-4-5(9)2-3-6(7)8(12)13/h2-4,10-11H,1H3,(H,12,13)
InChIKeyNRBLEDLUYUYEFN-UHFFFAOYSA-N
MW264.69 g/mol
LogP0.91
Rot. Bonds4

About 4-chloro-2-(methylsulfamoylamino)benzoic acid

4-chloro-2-(methylsulfamoylamino)benzoic acid (PubChem CID 114805243) has the molecular formula C8H9ClN2O4S and a molecular weight of 264.69 g/mol. Its IUPAC name is 4-chloro-2-(methylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(methylsulfamoylamino)benzoic acid
PubChem CID114805243
Molecular FormulaC8H9ClN2O4S
Molecular Weight264.69 g/mol
Exact Mass264.00
IUPAC Name4-chloro-2-(methylsulfamoylamino)benzoic acid
SMILESCNS(=O)(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C8H9ClN2O4S/c1-10-16(14,15)11-7-4-5(9)2-3-6(7)8(12)13/h2-4,10-11H,1H3,(H,12,13)
InChIKeyNRBLEDLUYUYEFN-UHFFFAOYSA-N
XLogP0.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylsulfonylamino)-4-chlorobenzoic acid
CID 63688405
4-fluoro-2-(methylsulfamoylamino)benzoic acid
CID 114805322
4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61457059
4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 103099599
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
CID 80577224
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
4-chloro-2-[2-(methanesulfonamido)ethylamino]benzoic acid
CID 55180982
4-chloro-2-formamidobenzoic acid
CID 61146469
4-chloro-2-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83046870
methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate
CID 39977655
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
bis(2-(2-carboxy-5-chloroanilino)-4-chlorobenzoate);hydron
CID 139054631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methylsulfamoylamino)benzoic acid?
The IUPAC name of 4-chloro-2-(methylsulfamoylamino)benzoic acid (CID 114805243) is 4-chloro-2-(methylsulfamoylamino)benzoic acid.
What is the SMILES notation for 4-chloro-2-(methylsulfamoylamino)benzoic acid?
The canonical SMILES for 4-chloro-2-(methylsulfamoylamino)benzoic acid is CNS(=O)(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(methylsulfamoylamino)benzoic acid?
The InChIKey is NRBLEDLUYUYEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4S/c1-10-16(14,15)11-7-4-5(9)2-3-6(7)8(12)13/h2-4,10-11H,1H3,(H,12,13).
What are the key properties of 4-chloro-2-(methylsulfamoylamino)benzoic acid?
4-chloro-2-(methylsulfamoylamino)benzoic acid has a molecular weight of 264.69 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114805243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).