N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide

C11H14ClN3O2S — CID 131946800

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H14ClN3O2S/c1-3-18(16,17)15(2)7-11-13-9-5-4-8(12)6-10(9)14-11/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyGWXZKWVOAYBWOY-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.00
Rot. Bonds4

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide (PubChem CID 131946800) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
PubChem CID131946800
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H14ClN3O2S/c1-3-18(16,17)15(2)7-11-13-9-5-4-8(12)6-10(9)14-11/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyGWXZKWVOAYBWOY-UHFFFAOYSA-N
XLogP2.00
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82335876
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide
CID 75258578
N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 35385421
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 125174045
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide
CID 72936130
2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 134709787
1-(azepan-1-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]ethanone
CID 134696462
6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide (CID 131946800) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide?
The InChIKey is GWXZKWVOAYBWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-3-18(16,17)15(2)7-11-13-9-5-4-8(12)6-10(9)14-11/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide has a molecular weight of 287.77 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide is sourced from PubChem (CID 131946800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).