4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

C11H9ClN2O4S2 — CID 104932565

IUPAC4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2cc(C(=O)O)ccc2Cl)s1
InChIInChI=1S/C11H9ClN2O4S2/c1-6-13-5-10(19-6)20(17,18)14-9-4-7(11(15)16)2-3-8(9)12/h2-5,14H,1H3,(H,15,16)
InChIKeyMWOIQYGDDYHUTC-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.60
Rot. Bonds4

About 4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 104932565) has the molecular formula C11H9ClN2O4S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
PubChem CID104932565
Molecular FormulaC11H9ClN2O4S2
Molecular Weight332.79 g/mol
Exact Mass331.97
IUPAC Name4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2cc(C(=O)O)ccc2Cl)s1
InChIInChI=1S/C11H9ClN2O4S2/c1-6-13-5-10(19-6)20(17,18)14-9-4-7(11(15)16)2-3-8(9)12/h2-5,14H,1H3,(H,15,16)
InChIKeyMWOIQYGDDYHUTC-UHFFFAOYSA-N
XLogP2.60
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 103414697
3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103414384
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
4-chloro-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030925
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413759
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104933209
2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103847453
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43235977
5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104589390
2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798280
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61282376
N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (CID 104932565) is 4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is Cc1ncc(S(=O)(=O)Nc2cc(C(=O)O)ccc2Cl)s1.
What is the InChIKey of 4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is MWOIQYGDDYHUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S2/c1-6-13-5-10(19-6)20(17,18)14-9-4-7(11(15)16)2-3-8(9)12/h2-5,14H,1H3,(H,15,16).
What are the key properties of 4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid has a molecular weight of 332.79 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 104932565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).