N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide

C17H19N3O2S — CID 110711922

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3O2S/c1-13-6-2-3-7-14(13)12-23(21,22)18-11-10-17-19-15-8-4-5-9-16(15)20-17/h2-9,18H,10-12H2,1H3,(H,19,20)
InChIKeyQSFCADFZMAKOCF-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110711922) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110711922
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3O2S/c1-13-6-2-3-7-14(13)12-23(21,22)18-11-10-17-19-15-8-4-5-9-16(15)20-17/h2-9,18H,10-12H2,1H3,(H,19,20)
InChIKeyQSFCADFZMAKOCF-UHFFFAOYSA-N
XLogP2.53
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110711924
methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate
CID 61456840
ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate
CID 114464444
N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 79013941
N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693515
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
1-(2-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791248
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 146024065
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
3-[3-(1H-benzimidazol-2-yl)propylsulfamoyl]-4,5-dimethylbenzoic acid
CID 25351513

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 110711922) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is QSFCADFZMAKOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-6-2-3-7-14(13)12-23(21,22)18-11-10-17-19-15-8-4-5-9-16(15)20-17/h2-9,18H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110711922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).