4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate

C11H7ClNO4S2- — CID 7040231

IUPAC4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
SMILESO=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C11H8ClNO4S2/c12-9-5-6-10(18-9)19(16,17)13-8-3-1-7(2-4-8)11(14)15/h1-6,13H,(H,14,15)/p-1
InChIKeyWVBRKQMHYJPLHK-UHFFFAOYSA-M
MW316.77 g/mol
LogP1.57
Rot. Bonds4

About 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate

4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate (PubChem CID 7040231) has the molecular formula C11H7ClNO4S2- and a molecular weight of 316.77 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
PubChem CID7040231
Molecular FormulaC11H7ClNO4S2-
Molecular Weight316.77 g/mol
Exact Mass315.95
IUPAC Name4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
SMILESO=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C11H8ClNO4S2/c12-9-5-6-10(18-9)19(16,17)13-8-3-1-7(2-4-8)11(14)15/h1-6,13H,(H,14,15)/p-1
InChIKeyWVBRKQMHYJPLHK-UHFFFAOYSA-M
XLogP1.57
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
CID 166200870
N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772945
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
4-[(4-iodophenyl)sulfonylamino]benzoate
CID 7312166
5-chloro-N-[4-(sulfamoylmethyl)phenyl]thiophene-2-sulfonamide
CID 24650329
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764
5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 5263595
5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 166202253
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide
CID 154836612
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2353026

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate (CID 7040231) is 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate is O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate?
The InChIKey is WVBRKQMHYJPLHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8ClNO4S2/c12-9-5-6-10(18-9)19(16,17)13-8-3-1-7(2-4-8)11(14)15/h1-6,13H,(H,14,15)/p-1.
What are the key properties of 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate?
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate has a molecular weight of 316.77 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate is sourced from PubChem (CID 7040231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).