1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide

C15H14ClN3O2S — CID 110728613

IUPAC1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide
SMILESCn1cnc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21
InChIInChI=1S/C15H14ClN3O2S/c1-19-10-17-14-8-12(6-7-15(14)19)18-22(20,21)9-11-4-2-3-5-13(11)16/h2-8,10,18H,9H2,1H3
InChIKeyRDXBZUOBLPVOOX-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.17
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide

1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide (PubChem CID 110728613) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide
PubChem CID110728613
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide
SMILESCn1cnc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21
InChIInChI=1S/C15H14ClN3O2S/c1-19-10-17-14-8-12(6-7-15(14)19)18-22(20,21)9-11-4-2-3-5-13(11)16/h2-8,10,18H,9H2,1H3
InChIKeyRDXBZUOBLPVOOX-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 2961516
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CID 3944658
1-(2-chlorophenyl)-N-(5-methyl-3-pyridinyl)methanesulfonamide
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1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778591
N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
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CID 41342474
2-(2-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728564
2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide
CID 44567357
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 17257615
1-(2-chlorophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 75538969
1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide
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N-[(2-chlorophenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide (CID 110728613) is 1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide is Cn1cnc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide?
The InChIKey is RDXBZUOBLPVOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-19-10-17-14-8-12(6-7-15(14)19)18-22(20,21)9-11-4-2-3-5-13(11)16/h2-8,10,18H,9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide?
1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide has a molecular weight of 335.82 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 110728613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).