N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide

C16H17N3O2S — CID 110760432

IUPACN,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)N(C)c3ccccc3)ccc2n1C
InChIInChI=1S/C16H17N3O2S/c1-12-17-15-11-14(9-10-16(15)18(12)2)22(20,21)19(3)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyZTPLHKSYPGKPJS-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.71
Rot. Bonds3

About N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide

N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide (PubChem CID 110760432) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
PubChem CID110760432
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)N(C)c3ccccc3)ccc2n1C
InChIInChI=1S/C16H17N3O2S/c1-12-17-15-11-14(9-10-16(15)18(12)2)22(20,21)19(3)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyZTPLHKSYPGKPJS-UHFFFAOYSA-N
XLogP2.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-aminopyridin-1-ium-1-yl)ethyl]-N,1-dimethyl-N-phenylbenzimidazole-5-sulfonamide
CID 25151978
N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760465
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
CID 110760413
5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole
CID 12993845
N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238936
1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole
CID 110760387
[3-[(1,2-dimethylbenzimidazol-5-yl)sulfonyl-methylamino]phenyl] 2-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]-4-phenoxybenzoate
CID 172618027
N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 51702772
N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760391
1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110760434
1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole
CID 110760379
N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760458

Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide?
The IUPAC name of N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide (CID 110760432) is N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide?
The canonical SMILES for N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)N(C)c3ccccc3)ccc2n1C.
What is the InChIKey of N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide?
The InChIKey is ZTPLHKSYPGKPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12-17-15-11-14(9-10-16(15)18(12)2)22(20,21)19(3)13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide?
N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 110760432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).