N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide

C17H19N3O4S — CID 35385496

IUPACN-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C17H19N3O4S/c1-20(11-17-18-13-6-4-5-7-14(13)19-17)25(21,22)12-8-9-15(23-2)16(10-12)24-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyYWEQOGYAKGMTRF-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.40
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide

N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 35385496) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
PubChem CID35385496
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C17H19N3O4S/c1-20(11-17-18-13-6-4-5-7-14(13)19-17)25(21,22)12-8-9-15(23-2)16(10-12)24-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyYWEQOGYAKGMTRF-UHFFFAOYSA-N
XLogP2.40
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
CID 55906277
N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 35385421
N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide
CID 35385383
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide
CID 35385409
N-(1H-benzimidazol-2-ylmethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 162668375
2-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1H-benzimidazole
CID 785635
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide
CID 1264970
N-(1H-benzimidazol-2-ylmethyl)-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 36518051
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
CID 77090238

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide (CID 35385496) is N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is YWEQOGYAKGMTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-20(11-17-18-13-6-4-5-7-14(13)19-17)25(21,22)12-8-9-15(23-2)16(10-12)24-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 35385496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).