4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide

C16H16ClN3O2S — CID 934490

IUPAC4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2S/c1-19(23(21,22)13-9-7-12(17)8-10-13)11-16-18-14-5-3-4-6-15(14)20(16)2/h3-10H,11H2,1-2H3
InChIKeyQNTPUDWZCSZEIN-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide

4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 934490) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID934490
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2S/c1-19(23(21,22)13-9-7-12(17)8-10-13)11-16-18-14-5-3-4-6-15(14)20(16)2/h3-10H,11H2,1-2H3
InChIKeyQNTPUDWZCSZEIN-UHFFFAOYSA-N
XLogP3.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole
CID 804705
4-Chloro-N-[(1r)-1-[1-Ethyl-6-(Trifluoromethyl)benzimidazol-2-Yl]ethyl]benzenesulfonamide
CID 59177179
4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177011
1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
CID 746713
2-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
CID 798232
2-{2-[(4-chlorophenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 589050
6-Chloro-1,3-diethyl-2-[2-(methyl-phenyl-amino)-vinyl]-3H-benzoimidazol-1-ium
CID 5719371
2-{4-[(4-Chlorophenyl)sulfonyl]piperazino}-3-ethylquinoxaline
CID 2808993
1-[(4-chlorophenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
CID 976018
Cambridge id 6957993
CID 1326313
2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 5308283
Benzenesulfonamide, 4-[1-(4-chlorophenyl)-1H-benzimidazol-2-yl]-
CID 11625155

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide (CID 934490) is 4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide is CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is QNTPUDWZCSZEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-19(23(21,22)13-9-7-12(17)8-10-13)11-16-18-14-5-3-4-6-15(14)20(16)2/h3-10H,11H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 349.84 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 934490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).