N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide

C24H24N2O3S — CID 2420116

IUPACN-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C24H24N2O3S/c27-24(21-14-9-15-22(18-21)30(28,29)26-16-7-8-17-26)25-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-15,18,23H,7-8,16-17H2,(H,25,27)
InChIKeyAREXWOHMJDAYPC-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.99
Rot. Bonds6

About N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide

N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2420116) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2420116
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C24H24N2O3S/c27-24(21-14-9-15-22(18-21)30(28,29)26-16-7-8-17-26)25-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-15,18,23H,7-8,16-17H2,(H,25,27)
InChIKeyAREXWOHMJDAYPC-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794713
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 41183490
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657
N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 133189694
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
3-(1,4-diazepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]benzamide
CID 97201245
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 51555310
N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55582803
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2420116) is N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is AREXWOHMJDAYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-24(21-14-9-15-22(18-21)30(28,29)26-16-7-8-17-26)25-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-15,18,23H,7-8,16-17H2,(H,25,27).
What are the key properties of N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 420.53 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2420116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).