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

C11H9ClN2O5S2 — CID 60860714

IUPAC2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H9ClN2O5S2/c1-5-10(20-11(17)13-5)21(18,19)14-6-2-3-8(12)7(4-6)9(15)16/h2-4,14H,1H3,(H,13,17)(H,15,16)
InChIKeyHEOSUZZGHMBKND-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.90
Rot. Bonds4

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

2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 60860714) has the molecular formula C11H9ClN2O5S2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
PubChem CID60860714
Molecular FormulaC11H9ClN2O5S2
Molecular Weight348.79 g/mol
Exact Mass347.96
IUPAC Name2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H9ClN2O5S2/c1-5-10(20-11(17)13-5)21(18,19)14-6-2-3-8(12)7(4-6)9(15)16/h2-4,14H,1H3,(H,13,17)(H,15,16)
InChIKeyHEOSUZZGHMBKND-UHFFFAOYSA-N
XLogP1.90
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884085
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444
N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712816
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150
N-(3,5-difluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712773
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3H-1,3-thiazole-5-sulfonamide
CID 63901970
2-chloro-5-(sulfoamino)benzoic acid
CID 169095231
N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712759
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 47390474
2-[2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 62534389
2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 51133066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (CID 60860714) is 2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is HEOSUZZGHMBKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O5S2/c1-5-10(20-11(17)13-5)21(18,19)14-6-2-3-8(12)7(4-6)9(15)16/h2-4,14H,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid has a molecular weight of 348.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 60860714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).