4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

C18H22N2O2S — CID 736064

IUPAC4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-15-9-11-16(12-10-15)23(21,22)19-17-7-3-4-8-18(17)20-13-5-2-6-14-20/h3-4,7-12,19H,2,5-6,13-14H2,1H3
InChIKeyLYEJMTRCXPORAD-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.79
Rot. Bonds4

About 4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 736064) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID736064
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-15-9-11-16(12-10-15)23(21,22)19-17-7-3-4-8-18(17)20-13-5-2-6-14-20/h3-4,7-12,19H,2,5-6,13-14H2,1H3
InChIKeyLYEJMTRCXPORAD-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
Benzenesulfonamide, 4-methyl-N-[4-(phenylamino)phenyl]-
CID 66856
N-Phenyl-P-toluenesulfonanilide
CID 316053
N,4-Dimethyl-N-phenylbenzenesulfonamide
CID 220023
Benzenesulfonamide, N-(2-aminophenyl)-4-methyl-
CID 77180
1-(4-Tert-butylbenzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 1041738
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperazine
CID 45380179
4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
1-(Benzylsulfonyl)-4-phenylpiperazine
CID 871639
Asm-024
CID 117587641

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (CID 736064) is 4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is LYEJMTRCXPORAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15-9-11-16(12-10-15)23(21,22)19-17-7-3-4-8-18(17)20-13-5-2-6-14-20/h3-4,7-12,19H,2,5-6,13-14H2,1H3.
What are the key properties of 4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 736064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).