1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide

C23H27N5O2S — CID 50822864

IUPAC1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide
SMILESCCCn1c(CCc2cccc(NS(=O)(=O)c3cnn(CC)c3)c2)nc2ccccc21
InChIInChI=1S/C23H27N5O2S/c1-3-14-28-22-11-6-5-10-21(22)25-23(28)13-12-18-8-7-9-19(15-18)26-31(29,30)20-16-24-27(4-2)17-20/h5-11,15-17,26H,3-4,12-14H2,1-2H3
InChIKeyMMNQQWGFNJVSRE-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.25
Rot. Bonds9

About 1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide

1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide (PubChem CID 50822864) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide
PubChem CID50822864
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide
SMILESCCCn1c(CCc2cccc(NS(=O)(=O)c3cnn(CC)c3)c2)nc2ccccc21
InChIInChI=1S/C23H27N5O2S/c1-3-14-28-22-11-6-5-10-21(22)25-23(28)13-12-18-8-7-9-19(15-18)26-31(29,30)20-16-24-27(4-2)17-20/h5-11,15-17,26H,3-4,12-14H2,1-2H3
InChIKeyMMNQQWGFNJVSRE-UHFFFAOYSA-N
XLogP4.25
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 50822859
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972051
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 106505787
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 46379481
2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972066
2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379452
N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 46379392
1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide
CID 84592273
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
CID 46328403

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide (CID 50822864) is 1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide is CCCn1c(CCc2cccc(NS(=O)(=O)c3cnn(CC)c3)c2)nc2ccccc21.
What is the InChIKey of 1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide?
The InChIKey is MMNQQWGFNJVSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-3-14-28-22-11-6-5-10-21(22)25-23(28)13-12-18-8-7-9-19(15-18)26-31(29,30)20-16-24-27(4-2)17-20/h5-11,15-17,26H,3-4,12-14H2,1-2H3.
What are the key properties of 1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide?
1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide has a molecular weight of 437.57 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 50822864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).