N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide

C24H23FN2O3S — CID 37024629

IUPACN-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C24H23FN2O3S/c25-21-13-12-20(17-23(21)31(29,30)27-14-6-7-15-27)24(28)26-22-11-5-4-10-19(22)16-18-8-2-1-3-9-18/h1-5,8-13,17H,6-7,14-16H2,(H,26,28)
InChIKeyWDUFXPDGJQVYIQ-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.45
Rot. Bonds6

About N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide

N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 37024629) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID37024629
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC NameN-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C24H23FN2O3S/c25-21-13-12-20(17-23(21)31(29,30)27-14-6-7-15-27)24(28)26-22-11-5-4-10-19(22)16-18-8-2-1-3-9-18/h1-5,8-13,17H,6-7,14-16H2,(H,26,28)
InChIKeyWDUFXPDGJQVYIQ-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3247627
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-fluoro-N'-(2-phenylacetyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 26863667
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
N-[2-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37029500
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethylphenyl)-4-fluorobenzamide
CID 3526073
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55642516
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 3275798
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647835

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide (CID 37024629) is N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1Cc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is WDUFXPDGJQVYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c25-21-13-12-20(17-23(21)31(29,30)27-14-6-7-15-27)24(28)26-22-11-5-4-10-19(22)16-18-8-2-1-3-9-18/h1-5,8-13,17H,6-7,14-16H2,(H,26,28).
What are the key properties of N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 438.52 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 37024629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).