1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid

C13H12N2O4S2 — CID 115914201

IUPAC1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1
InChIInChI=1S/C13H12N2O4S2/c16-11(17)13(5-6-13)9-1-3-10(4-2-9)21(18,19)15-12-14-7-8-20-12/h1-4,7-8H,5-6H2,(H,14,15)(H,16,17)
InChIKeyALJAODXMWKLUDK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.06
Rot. Bonds5

About 1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 115914201) has the molecular formula C13H12N2O4S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID115914201
Molecular FormulaC13H12N2O4S2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC Name1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1
InChIInChI=1S/C13H12N2O4S2/c16-11(17)13(5-6-13)9-1-3-10(4-2-9)21(18,19)15-12-14-7-8-20-12/h1-4,7-8H,5-6H2,(H,14,15)(H,16,17)
InChIKeyALJAODXMWKLUDK-UHFFFAOYSA-N
XLogP2.06
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 112558591
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174558419
4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87488147
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide
CID 70789381
N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167823833
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-(2,5-dihydroxypyrrol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54037138
cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 1009601

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid (CID 115914201) is 1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.
What is the InChIKey of 1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is ALJAODXMWKLUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S2/c16-11(17)13(5-6-13)9-1-3-10(4-2-9)21(18,19)15-12-14-7-8-20-12/h1-4,7-8H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115914201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).