N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide

C13H19N3O2S — CID 110760294

IUPACN-butyl-N,1-dimethylbenzimidazole-5-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C13H19N3O2S/c1-4-5-8-16(3)19(17,18)11-6-7-13-12(9-11)14-10-15(13)2/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyLFRNULIXKLZIOK-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.99
Rot. Bonds5

About N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide

N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide (PubChem CID 110760294) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N,1-dimethylbenzimidazole-5-sulfonamide
PubChem CID110760294
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-butyl-N,1-dimethylbenzimidazole-5-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C13H19N3O2S/c1-4-5-8-16(3)19(17,18)11-6-7-13-12(9-11)14-10-15(13)2/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyLFRNULIXKLZIOK-UHFFFAOYSA-N
XLogP1.99
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
CID 110869331
N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 110760549
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
2-(1-methylbenzimidazol-5-yl)sulfonylethanamine
CID 116853429
N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 75426047
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
CID 110758081
N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
CID 110758150
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
CID 110760413

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide?
The IUPAC name of N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide (CID 110760294) is N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide is CCCCN(C)S(=O)(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide?
The InChIKey is LFRNULIXKLZIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-5-8-16(3)19(17,18)11-6-7-13-12(9-11)14-10-15(13)2/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide?
N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 110760294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).