N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide

C15H13Cl2N3O2S — CID 35385421

IUPACN-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide
SMILESCN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H13Cl2N3O2S/c1-20(9-15-18-13-4-2-3-5-14(13)19-15)23(21,22)12-7-10(16)6-11(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyVIWZIJULLUDSLH-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.69
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide

N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide (PubChem CID 35385421) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide
PubChem CID35385421
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide
SMILESCN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H13Cl2N3O2S/c1-20(9-15-18-13-4-2-3-5-14(13)19-15)23(21,22)12-7-10(16)6-11(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyVIWZIJULLUDSLH-UHFFFAOYSA-N
XLogP3.69
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
CID 55906277
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 35385496
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353
N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide
CID 35385383
N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide
CID 1264970
N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide
CID 35385409
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
CID 138998278
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55823818
2-[[methyl-[(1-oxothiolan-1-ylidene)amino]sulfonylamino]methyl]-1H-benzimidazole
CID 126823525
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 36515812
N-(1H-benzimidazol-2-ylmethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 162668375

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide (CID 35385421) is N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide is CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide?
The InChIKey is VIWZIJULLUDSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c1-20(9-15-18-13-4-2-3-5-14(13)19-15)23(21,22)12-7-10(16)6-11(17)8-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide has a molecular weight of 370.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 35385421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).