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

C24H23ClN2O3S — CID 3247627

IUPACN-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C24H23ClN2O3S/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)
InChIKeyXLWUSEJJUXDNOX-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.97
Rot. Bonds6

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

N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 3247627) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID3247627
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC NameN-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C24H23ClN2O3S/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)
InChIKeyXLWUSEJJUXDNOX-UHFFFAOYSA-N
XLogP4.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2599735
N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide
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4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55642516
3-(azepan-1-ylsulfonyl)-N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-chlorobenzamide
CID 41032131
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92546648
4-chloro-N-(2-chloro-4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26693077
4-chloro-N-[(2S)-2-hydroxy-2-phenylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7378013
4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide
CID 78774797

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide (CID 3247627) is N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1Cc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XLWUSEJJUXDNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/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-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 454.98 g/mol, XLogP of 4.97, 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-chloro-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3247627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).