2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid

C11H10N2O4S2 — CID 20983476

IUPAC2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)O
InChIInChI=1S/C11H10N2O4S2/c1-7-9(10(14)15)18-11(12-7)13-19(16,17)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyBJBILUVLLDIVBX-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.95
Rot. Bonds4

About 2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 20983476) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID20983476
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)O
InChIInChI=1S/C11H10N2O4S2/c1-7-9(10(14)15)18-11(12-7)13-19(16,17)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyBJBILUVLLDIVBX-UHFFFAOYSA-N
XLogP1.95
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-Dimethyl-benzenesulfonylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 1132234
Ethyl 2-{[(2-chlorophenyl)sulfonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1132233
Ethyl 2-{[(4-fluorophenyl)sulfonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 3160784
Ethyl 4-methyl-2-{[(4-methylphenyl)sulfonyl]amino}-1,3-thiazole-5-carboxylate
CID 742836
2-Benzenesulfonylamino-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 921743
Ethyl 2-[(benzylsulfonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6490608
4-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazole-5-carboxylic acid
CID 172434535
2-[(4-Bromo-2,5-difluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 172435098
4-Methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylic acid
CID 172436437
2-[(3-Chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 172437622
Methyl 2-[(3-fluoro-4-methylsulfonylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 71850699
Methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
CID 141488363

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 20983476) is 2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)O.
What is the InChIKey of 2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is BJBILUVLLDIVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-7-9(10(14)15)18-11(12-7)13-19(16,17)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 20983476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).