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

C12H10ClN3O3S2 — CID 110785314

IUPAC5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c2ccc(CNS(=O)(=O)c3ccc(Cl)s3)cc2[nH]1
InChIInChI=1S/C12H10ClN3O3S2/c13-10-3-4-11(20-10)21(18,19)14-6-7-1-2-8-9(5-7)16-12(17)15-8/h1-5,14H,6H2,(H2,15,16,17)
InChIKeyJNKSRTDLCUENDI-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.05
Rot. Bonds4

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

5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110785314) has the molecular formula C12H10ClN3O3S2 and a molecular weight of 343.82 g/mol. Its IUPAC name is 5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID110785314
Molecular FormulaC12H10ClN3O3S2
Molecular Weight343.82 g/mol
Exact Mass342.99
IUPAC Name5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c2ccc(CNS(=O)(=O)c3ccc(Cl)s3)cc2[nH]1
InChIInChI=1S/C12H10ClN3O3S2/c13-10-3-4-11(20-10)21(18,19)14-6-7-1-2-8-9(5-7)16-12(17)15-8/h1-5,14H,6H2,(H2,15,16,17)
InChIKeyJNKSRTDLCUENDI-UHFFFAOYSA-N
XLogP2.05
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110786815
5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide
CID 3659033
5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 22745215
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785308
5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785866
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81098757
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide (CID 110785314) is 5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide is O=c1[nH]c2ccc(CNS(=O)(=O)c3ccc(Cl)s3)cc2[nH]1.
What is the InChIKey of 5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is JNKSRTDLCUENDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S2/c13-10-3-4-11(20-10)21(18,19)14-6-7-1-2-8-9(5-7)16-12(17)15-8/h1-5,14H,6H2,(H2,15,16,17).
What are the key properties of 5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 343.82 g/mol, XLogP of 2.05, 4 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)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110785314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).