N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide

C17H18ClN3O2S — CID 1264970

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide
SMILESCN(CCCc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2S/c1-21(24(22,23)14-10-8-13(18)9-11-14)12-4-7-17-19-15-5-2-3-6-16(15)20-17/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20)
InChIKeyZNVMTHIULOAPKW-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.47
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide

N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide (PubChem CID 1264970) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide
PubChem CID1264970
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide
SMILESCN(CCCc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2S/c1-21(24(22,23)14-10-8-13(18)9-11-14)12-4-7-17-19-15-5-2-3-6-16(15)20-17/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20)
InChIKeyZNVMTHIULOAPKW-UHFFFAOYSA-N
XLogP3.47
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 35385421
N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
CID 55906277
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
CID 24731956
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
CID 138998278
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 35385496
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
CID 46379462
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353
2-docosyl-1H-benzimidazole
CID 141189761
4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide
CID 135462126

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide (CID 1264970) is N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide is CN(CCCc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide?
The InChIKey is ZNVMTHIULOAPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-21(24(22,23)14-10-8-13(18)9-11-14)12-4-7-17-19-15-5-2-3-6-16(15)20-17/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide has a molecular weight of 363.87 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 1264970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).