2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C24H24N2O3S — CID 55906378

IUPAC2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1cccc(CNS(=O)(=O)c2ccccc2-c2ccccc2)c1)N1CCCC1
InChIInChI=1S/C24H24N2O3S/c27-24(26-15-6-7-16-26)21-12-8-9-19(17-21)18-25-30(28,29)23-14-5-4-13-22(23)20-10-2-1-3-11-20/h1-5,8-14,17,25H,6-7,15-16,18H2
InChIKeyNWXGWCMQQGIAFU-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.07
Rot. Bonds6

About 2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 55906378) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID55906378
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1cccc(CNS(=O)(=O)c2ccccc2-c2ccccc2)c1)N1CCCC1
InChIInChI=1S/C24H24N2O3S/c27-24(26-15-6-7-16-26)21-12-8-9-19(17-21)18-25-30(28,29)23-14-5-4-13-22(23)20-10-2-1-3-11-20/h1-5,8-14,17,25H,6-7,15-16,18H2
InChIKeyNWXGWCMQQGIAFU-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
2,3,5,6-tetramethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906508
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
N-benzyl-3-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78785231
2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 52565659
1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine
CID 47064925
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 55906378) is 2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is O=C(c1cccc(CNS(=O)(=O)c2ccccc2-c2ccccc2)c1)N1CCCC1.
What is the InChIKey of 2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is NWXGWCMQQGIAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-24(26-15-6-7-16-26)21-12-8-9-19(17-21)18-25-30(28,29)23-14-5-4-13-22(23)20-10-2-1-3-11-20/h1-5,8-14,17,25H,6-7,15-16,18H2.
What are the key properties of 2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55906378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).