4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide

C19H24N2O2S — CID 169370271

IUPAC4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C19H24N2O2S/c1-16-8-10-19(11-9-16)24(22,23)20-18-7-5-6-17(14-18)15-21-12-3-2-4-13-21/h5-11,14,20H,2-4,12-13,15H2,1H3
InChIKeyBQERDSVSUKASQM-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.78
Rot. Bonds5

About 4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide

4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 169370271) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID169370271
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C19H24N2O2S/c1-16-8-10-19(11-9-16)24(22,23)20-18-7-5-6-17(14-18)15-21-12-3-2-4-13-21/h5-11,14,20H,2-4,12-13,15H2,1H3
InChIKeyBQERDSVSUKASQM-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 91650297
N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
CID 64590840
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274374
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 169371979
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
3-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-1-sulfonamide
CID 60959543
N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
CID 169372191

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide (CID 169370271) is 4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(CN3CCCCC3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is BQERDSVSUKASQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-16-8-10-19(11-9-16)24(22,23)20-18-7-5-6-17(14-18)15-21-12-3-2-4-13-21/h5-11,14,20H,2-4,12-13,15H2,1H3.
What are the key properties of 4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 169370271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).