N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C24H24N2O3S — CID 1100955

IUPACN-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C24H24N2O3S/c27-24(25-17-7-8-18-25)21-15-13-20(14-16-21)19-26(22-9-3-1-4-10-22)30(28,29)23-11-5-2-6-12-23/h1-6,9-16H,7-8,17-19H2
InChIKeyRMDHPDIRFURHRZ-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.32
Rot. Bonds6

About N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 1100955) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID1100955
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C24H24N2O3S/c27-24(25-17-7-8-18-25)21-15-13-20(14-16-21)19-26(22-9-3-1-4-10-22)30(28,29)23-11-5-2-6-12-23/h1-6,9-16H,7-8,17-19H2
InChIKeyRMDHPDIRFURHRZ-UHFFFAOYSA-N
XLogP4.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 67130558
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
N-benzyl-N-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 68578304
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502160
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 126259639
N-[(3-chlorophenyl)methyl]-N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46180829
4-[[N-(benzenesulfonyl)anilino]methyl]-N-benzylbenzamide
CID 1100953
N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 132658407
N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide
CID 112798825
4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide
CID 4239264

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 1100955) is N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is O=C(c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)N1CCCC1.
What is the InChIKey of N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RMDHPDIRFURHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-24(25-17-7-8-18-25)21-15-13-20(14-16-21)19-26(22-9-3-1-4-10-22)30(28,29)23-11-5-2-6-12-23/h1-6,9-16H,7-8,17-19H2.
What are the key properties of N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 1100955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).