N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide

C24H22FN3O4S — CID 50824374

IUPACN-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C24H22FN3O4S/c1-3-27-20-14-19(26-23(29)16-10-12-17(25)13-11-16)22(15-21(20)28(4-2)24(27)30)33(31,32)18-8-6-5-7-9-18/h5-15H,3-4H2,1-2H3,(H,26,29)
InChIKeyMFCNIXZPXQVYJG-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.07
Rot. Bonds6

About N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide

N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide (PubChem CID 50824374) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
PubChem CID50824374
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC NameN-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C24H22FN3O4S/c1-3-27-20-14-19(26-23(29)16-10-12-17(25)13-11-16)22(15-21(20)28(4-2)24(27)30)33(31,32)18-8-6-5-7-9-18/h5-15H,3-4H2,1-2H3,(H,26,29)
InChIKeyMFCNIXZPXQVYJG-UHFFFAOYSA-N
XLogP4.07
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824163
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide
CID 50824118
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
CID 50824365
2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824286
N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
CID 50824131
N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide
CID 50820530
3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50824297
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide
CID 50824169
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
CID 50824381
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
CID 50824132
2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
CID 50824264
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide (CID 50824374) is N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide?
The InChIKey is MFCNIXZPXQVYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-3-27-20-14-19(26-23(29)16-10-12-17(25)13-11-16)22(15-21(20)28(4-2)24(27)30)33(31,32)18-8-6-5-7-9-18/h5-15H,3-4H2,1-2H3,(H,26,29).
What are the key properties of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide?
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide has a molecular weight of 467.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 50824374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).