N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide

C19H24N2O2S — CID 53278603

IUPACN-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCC1CCCN(c2ccc(CNS(=O)(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C19H24N2O2S/c1-16-6-5-13-21(15-16)18-11-9-17(10-12-18)14-20-24(22,23)19-7-3-2-4-8-19/h2-4,7-12,16,20H,5-6,13-15H2,1H3
InChIKeyPIYSVBZGTIEGFK-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.40
Rot. Bonds5

About N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide

N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 53278603) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID53278603
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCC1CCCN(c2ccc(CNS(=O)(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C19H24N2O2S/c1-16-6-5-13-21(15-16)18-11-9-17(10-12-18)14-20-24(22,23)19-7-3-2-4-8-19/h2-4,7-12,16,20H,5-6,13-15H2,1H3
InChIKeyPIYSVBZGTIEGFK-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132655966
2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132664382
N-benzyl-4-piperidin-1-ylbenzenesulfonamide
CID 735438
5-bromo-2-methoxy-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 133210812
1-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-3-phenylurea
CID 56923040
N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide
CID 132673669
2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133184701
methyl 4-methyl-3-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzoate
CID 132665048
3-[(4-chlorophenyl)methyl]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100753232
N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 133228886
4-methoxy-2-methyl-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzenesulfonamide
CID 125058439
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide (CID 53278603) is N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide is CC1CCCN(c2ccc(CNS(=O)(=O)c3ccccc3)cc2)C1.
What is the InChIKey of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is PIYSVBZGTIEGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-16-6-5-13-21(15-16)18-11-9-17(10-12-18)14-20-24(22,23)19-7-3-2-4-8-19/h2-4,7-12,16,20H,5-6,13-15H2,1H3.
What are the key properties of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 53278603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).