5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide

C11H8ClN3O3S2 — CID 3659033

IUPAC5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2[nH]1
InChIInChI=1S/C11H8ClN3O3S2/c12-9-3-4-10(19-9)20(17,18)15-6-1-2-7-8(5-6)14-11(16)13-7/h1-5,15H,(H2,13,14,16)
InChIKeyQRDBPQHFJJTKJQ-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.37
Rot. Bonds3

About 5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide

5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide (PubChem CID 3659033) has the molecular formula C11H8ClN3O3S2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide
PubChem CID3659033
Molecular FormulaC11H8ClN3O3S2
Molecular Weight329.79 g/mol
Exact Mass328.97
IUPAC Name5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2[nH]1
InChIInChI=1S/C11H8ClN3O3S2/c12-9-3-4-10(19-9)20(17,18)15-6-1-2-7-8(5-6)14-11(16)13-7/h1-5,15H,(H2,13,14,16)
InChIKeyQRDBPQHFJJTKJQ-UHFFFAOYSA-N
XLogP2.37
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1H-indazol-6-yl)thiophene-2-sulfonamide
CID 2444866
5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785314
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796598
5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide
CID 68934113
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide
CID 110405814
2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796931
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 51646909
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 24580783
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide (CID 3659033) is 5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2[nH]1.
What is the InChIKey of 5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is QRDBPQHFJJTKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S2/c12-9-3-4-10(19-9)20(17,18)15-6-1-2-7-8(5-6)14-11(16)13-7/h1-5,15H,(H2,13,14,16).
What are the key properties of 5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide?
5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 329.79 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 3659033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).