N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C24H23FN2O3S — CID 55582803

IUPACN-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC(c1ccccc1)c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H23FN2O3S/c25-21-12-8-19(9-13-21)23(18-6-2-1-3-7-18)26-24(28)20-10-14-22(15-11-20)31(29,30)27-16-4-5-17-27/h1-3,6-15,23H,4-5,16-17H2,(H,26,28)
InChIKeyFAFHBJJVICJFIG-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.13
Rot. Bonds6

About N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55582803) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55582803
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC(c1ccccc1)c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H23FN2O3S/c25-21-12-8-19(9-13-21)23(18-6-2-1-3-7-18)26-24(28)20-10-14-22(15-11-20)31(29,30)27-16-4-5-17-27/h1-3,6-15,23H,4-5,16-17H2,(H,26,28)
InChIKeyFAFHBJJVICJFIG-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 133189694
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9051085
(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 7059174
N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]benzamide
CID 42925327
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(S)-(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 100669848
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1140003
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
4-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 8782191

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 55582803) is N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC(c1ccccc1)c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is FAFHBJJVICJFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c25-21-12-8-19(9-13-21)23(18-6-2-1-3-7-18)26-24(28)20-10-14-22(15-11-20)31(29,30)27-16-4-5-17-27/h1-3,6-15,23H,4-5,16-17H2,(H,26,28).
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 438.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55582803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).