3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide

C16H16ClN3O2S — CID 110786053

IUPAC3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCc1nc2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccc2n1C
InChIInChI=1S/C16H16ClN3O2S/c1-11-19-15-8-12(6-7-16(15)20(11)2)10-18-23(21,22)14-5-3-4-13(17)9-14/h3-9,18H,10H2,1-2H3
InChIKeyJIRRFLRUGWRZLH-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.01
Rot. Bonds4

About 3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide

3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110786053) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide
PubChem CID110786053
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCc1nc2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccc2n1C
InChIInChI=1S/C16H16ClN3O2S/c1-11-19-15-8-12(6-7-16(15)20(11)2)10-18-23(21,22)14-5-3-4-13(17)9-14/h3-9,18H,10H2,1-2H3
InChIKeyJIRRFLRUGWRZLH-UHFFFAOYSA-N
XLogP3.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
CID 110785208
3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672345
N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760391
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 156599916
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773172
3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
CID 169029479
2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110779237
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115130198

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide (CID 110786053) is 3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide is Cc1nc2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccc2n1C.
What is the InChIKey of 3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is JIRRFLRUGWRZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-11-19-15-8-12(6-7-16(15)20(11)2)10-18-23(21,22)14-5-3-4-13(17)9-14/h3-9,18H,10H2,1-2H3.
What are the key properties of 3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide?
3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 349.84 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110786053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).