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

C19H22N2O3S — CID 39659483

IUPACN-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1cccc(CNS(=O)(=O)c2ccccc2)c1)N1CCCCC1
InChIInChI=1S/C19H22N2O3S/c22-19(21-12-5-2-6-13-21)17-9-7-8-16(14-17)15-20-25(23,24)18-10-3-1-4-11-18/h1,3-4,7-11,14,20H,2,5-6,12-13,15H2
InChIKeyWASVQVGPDNQLRY-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.79
Rot. Bonds5

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

N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 39659483) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID39659483
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1cccc(CNS(=O)(=O)c2ccccc2)c1)N1CCCCC1
InChIInChI=1S/C19H22N2O3S/c22-19(21-12-5-2-6-13-21)17-9-7-8-16(14-17)15-20-25(23,24)18-10-3-1-4-11-18/h1,3-4,7-11,14,20H,2,5-6,12-13,15H2
InChIKeyWASVQVGPDNQLRY-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906378
N-benzyl-3-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78785231
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063301
2,3,5,6-tetramethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906508
1-[3-(benzylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353982
N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063280
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 2213121
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912

Frequently Asked Questions

What is the IUPAC name of N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 39659483) is N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is O=C(c1cccc(CNS(=O)(=O)c2ccccc2)c1)N1CCCCC1.
What is the InChIKey of N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is WASVQVGPDNQLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(21-12-5-2-6-13-21)17-9-7-8-16(14-17)15-20-25(23,24)18-10-3-1-4-11-18/h1,3-4,7-11,14,20H,2,5-6,12-13,15H2.
What are the key properties of N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 39659483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).