N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide

C23H23N3O2S — CID 44567356

IUPACN-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-6-18-9-12-21(13-10-18)29(27,28)25-20-11-14-23-22(15-20)24-17-26(23)16-19-7-4-3-5-8-19/h3-5,7-15,17,25H,2,6,16H2,1H3
InChIKeyOGYXCETZULPTMO-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.84
Rot. Bonds7

About N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide

N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide (PubChem CID 44567356) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide
PubChem CID44567356
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-6-18-9-12-21(13-10-18)29(27,28)25-20-11-14-23-22(15-20)24-17-26(23)16-19-7-4-3-5-8-19/h3-5,7-15,17,25H,2,6,16H2,1H3
InChIKeyOGYXCETZULPTMO-UHFFFAOYSA-N
XLogP4.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Grapiprant
CID 11677589
XL147
CID 1893730
1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
CID 1088438
Pf-05212377
CID 46203710
Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-
CID 11675994
1-(3-Methylphenyl)-1H-benzimidazol-5-amine
CID 1510981
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 755364
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
2,4-Diaminopyrimidine-based antagonist, 7
CID 11846463
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
N-(1-benzyl-1H-benzo[d]imidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 44567335
4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine
CID 446805

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide (CID 44567356) is N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide?
The InChIKey is OGYXCETZULPTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-2-6-18-9-12-21(13-10-18)29(27,28)25-20-11-14-23-22(15-20)24-17-26(23)16-19-7-4-3-5-8-19/h3-5,7-15,17,25H,2,6,16H2,1H3.
What are the key properties of N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide?
N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-5-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 44567356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).