N-(4-piperidin-1-ylphenyl)benzenesulfonamide

C17H20N2O2S — CID 735886

IUPACN-(4-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-22(21,17-7-3-1-4-8-17)18-15-9-11-16(12-10-15)19-13-5-2-6-14-19/h1,3-4,7-12,18H,2,5-6,13-14H2
InChIKeyAPMCMVDSNNTFQR-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.48
Rot. Bonds4

About N-(4-piperidin-1-ylphenyl)benzenesulfonamide

N-(4-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 735886) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID735886
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(4-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-22(21,17-7-3-1-4-8-17)18-15-9-11-16(12-10-15)19-13-5-2-6-14-19/h1,3-4,7-12,18H,2,5-6,13-14H2
InChIKeyAPMCMVDSNNTFQR-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Sulthiame
CID 5356
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
4-(4-Methylpiperazine-1-sulfonyl)aniline
CID 567261
Benzenesulfonamide, p-((p-(dimethylamino)phenyl)azo)-
CID 75522
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
4-(4-Benzenesulfonylphenyl)piperazine
CID 5113605
4-(3-Benzenesulfonylphenyl)piperazine
CID 9948345
4-(3-Benzenesulfonamidophenyl)piperazine
CID 11849196
4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789
1-(2,3,4,5,6-Pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064
N,N-Diphenylbenzenesulfonamide
CID 597830

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)benzenesulfonamide (CID 735886) is N-(4-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is APMCMVDSNNTFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-22(21,17-7-3-1-4-8-17)18-15-9-11-16(12-10-15)19-13-5-2-6-14-19/h1,3-4,7-12,18H,2,5-6,13-14H2.
What are the key properties of N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
N-(4-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 735886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).