4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid

C12H9Cl2NO4S2 — CID 103099599

IUPAC4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)O)sc1Cl
InChIInChI=1S/C12H9Cl2NO4S2/c1-6-4-10(20-11(6)14)21(18,19)15-9-5-7(13)2-3-8(9)12(16)17/h2-5,15H,1H3,(H,16,17)
InChIKeyJRUCMTSAPAZBQX-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.86
Rot. Bonds4

About 4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid

4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid (PubChem CID 103099599) has the molecular formula C12H9Cl2NO4S2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
PubChem CID103099599
Molecular FormulaC12H9Cl2NO4S2
Molecular Weight366.25 g/mol
Exact Mass364.94
IUPAC Name4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)O)sc1Cl
InChIInChI=1S/C12H9Cl2NO4S2/c1-6-4-10(20-11(6)14)21(18,19)15-9-5-7(13)2-3-8(9)12(16)17/h2-5,15H,1H3,(H,16,17)
InChIKeyJRUCMTSAPAZBQX-UHFFFAOYSA-N
XLogP3.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 103099620
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 103099646
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
CID 80577224
5-[(2-bromo-5-chlorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 81269683
4-chloro-2-(methylsulfamoylamino)benzoic acid
CID 114805243
N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099479
2-(tert-butylsulfonylamino)-4-chlorobenzoic acid
CID 63688405
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 60916262
2-[[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]methyl]furan-3-carboxylic acid
CID 166261054
5-chloro-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 103100304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid (CID 103099599) is 4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid is Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)O)sc1Cl.
What is the InChIKey of 4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid?
The InChIKey is JRUCMTSAPAZBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4S2/c1-6-4-10(20-11(6)14)21(18,19)15-9-5-7(13)2-3-8(9)12(16)17/h2-5,15H,1H3,(H,16,17).
What are the key properties of 4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid?
4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid has a molecular weight of 366.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 103099599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).