5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide

C13H12ClN3O2S2 — CID 110785866

IUPAC5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCn1cnc2cc(CNS(=O)(=O)c3ccc(Cl)s3)ccc21
InChIInChI=1S/C13H12ClN3O2S2/c1-17-8-15-10-6-9(2-3-11(10)17)7-16-21(18,19)13-5-4-12(14)20-13/h2-6,8,16H,7H2,1H3
InChIKeyWRBZEQLBTXYBHC-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.77
Rot. Bonds4

About 5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110785866) has the molecular formula C13H12ClN3O2S2 and a molecular weight of 341.85 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID110785866
Molecular FormulaC13H12ClN3O2S2
Molecular Weight341.85 g/mol
Exact Mass341.01
IUPAC Name5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCn1cnc2cc(CNS(=O)(=O)c3ccc(Cl)s3)ccc21
InChIInChI=1S/C13H12ClN3O2S2/c1-17-8-15-10-6-9(2-3-11(10)17)7-16-21(18,19)13-5-4-12(14)20-13/h2-6,8,16H,7H2,1H3
InChIKeyWRBZEQLBTXYBHC-UHFFFAOYSA-N
XLogP2.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110785872
4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785887
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785314
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81098757
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732
N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide
CID 75400421
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 53022466

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide (CID 110785866) is 5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide is Cn1cnc2cc(CNS(=O)(=O)c3ccc(Cl)s3)ccc21.
What is the InChIKey of 5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is WRBZEQLBTXYBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S2/c1-17-8-15-10-6-9(2-3-11(10)17)7-16-21(18,19)13-5-4-12(14)20-13/h2-6,8,16H,7H2,1H3.
What are the key properties of 5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 341.85 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110785866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).