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

C18H22N2O2S — CID 5017994

IUPAC3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C18H22N2O2S/c1-15-6-5-7-18(14-15)23(21,22)19-16-8-10-17(11-9-16)20-12-3-2-4-13-20/h5-11,14,19H,2-4,12-13H2,1H3
InChIKeyMFWKCDDDNTYLBK-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.79
Rot. Bonds4

About 3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide

3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 5017994) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID5017994
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C18H22N2O2S/c1-15-6-5-7-18(14-15)23(21,22)19-16-8-10-17(11-9-16)20-12-3-2-4-13-20/h5-11,14,19H,2-4,12-13H2,1H3
InChIKeyMFWKCDDDNTYLBK-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_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112502665
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-methylbenzenesulfonamide
CID 112984261
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
3-methylbenzenesulfonic acid;1-phenylpiperidine
CID 174770364
2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3703667
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
3-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 44826889
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide (CID 5017994) is 3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is MFWKCDDDNTYLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15-6-5-7-18(14-15)23(21,22)19-16-8-10-17(11-9-16)20-12-3-2-4-13-20/h5-11,14,19H,2-4,12-13H2,1H3.
What are the key properties of 3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
3-methyl-N-(4-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-(4-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 5017994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).