3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide

C18H22N2O2S — CID 110362158

IUPAC3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(N3CCCCC3)c2)c1
InChIInChI=1S/C18H22N2O2S/c1-15-7-5-10-18(13-15)23(21,22)19-16-8-6-9-17(14-16)20-11-3-2-4-12-20/h5-10,13-14,19H,2-4,11-12H2,1H3
InChIKeyDIGZVNKUYIXVMT-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.79
Rot. Bonds4

About 3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide

3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 110362158) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID110362158
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(N3CCCCC3)c2)c1
InChIInChI=1S/C18H22N2O2S/c1-15-7-5-10-18(13-15)23(21,22)19-16-8-6-9-17(14-16)20-11-3-2-4-12-20/h5-10,13-14,19H,2-4,11-12H2,1H3
InChIKeyDIGZVNKUYIXVMT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 51135051
4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362146
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
3-methylbenzenesulfonic acid;1-phenylpiperidine
CID 174770364
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110361647
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 110362881
N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide
CID 1314014
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110426248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide (CID 110362158) is 3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCCC3)c2)c1.
What is the InChIKey of 3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is DIGZVNKUYIXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15-7-5-10-18(13-15)23(21,22)19-16-8-6-9-17(14-16)20-11-3-2-4-12-20/h5-10,13-14,19H,2-4,11-12H2,1H3.
What are the key properties of 3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
3-methyl-N-(3-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 3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110362158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).