2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

C22H19F2N3O2S — CID 46379452

IUPAC2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCn1c(CCc2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)nc2ccccc21
InChIInChI=1S/C22H19F2N3O2S/c1-27-20-8-3-2-7-19(20)25-22(27)12-9-15-5-4-6-17(13-15)26-30(28,29)21-11-10-16(23)14-18(21)24/h2-8,10-11,13-14,26H,9,12H2,1H3
InChIKeyGSGAZPGGIIMDMD-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.44
Rot. Bonds6

About 2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 46379452) has the molecular formula C22H19F2N3O2S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID46379452
Molecular FormulaC22H19F2N3O2S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCn1c(CCc2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)nc2ccccc21
InChIInChI=1S/C22H19F2N3O2S/c1-27-20-8-3-2-7-19(20)25-22(27)12-9-15-5-4-6-17(13-15)26-30(28,29)21-11-10-16(23)14-18(21)24/h2-8,10-11,13-14,26H,9,12H2,1H3
InChIKeyGSGAZPGGIIMDMD-UHFFFAOYSA-N
XLogP4.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972066
4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972051
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 50822859
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 22206753
3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 110711966
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665
1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide
CID 50822864

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (CID 46379452) is 2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is Cn1c(CCc2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)nc2ccccc21.
What is the InChIKey of 2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is GSGAZPGGIIMDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2S/c1-27-20-8-3-2-7-19(20)25-22(27)12-9-15-5-4-6-17(13-15)26-30(28,29)21-11-10-16(23)14-18(21)24/h2-8,10-11,13-14,26H,9,12H2,1H3.
What are the key properties of 2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 427.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 46379452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).