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

C19H24N2O2S — CID 18197748

IUPAC4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15-3-9-19(10-4-15)24(22,23)20-17-5-7-18(8-6-17)21-13-11-16(2)12-14-21/h3-10,16,20H,11-14H2,1-2H3
InChIKeyRSIYFSSFPBHEHA-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.03
Rot. Bonds4

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

4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 18197748) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID18197748
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15-3-9-19(10-4-15)24(22,23)20-17-5-7-18(8-6-17)21-13-11-16(2)12-14-21/h3-10,16,20H,11-14H2,1-2H3
InChIKeyRSIYFSSFPBHEHA-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.03
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

4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 25358953
1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide
CID 169372256
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557769
4-methyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113024884
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772
1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
CID 63665951
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
methyl 2-bromo-5-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoate
CID 55923990
N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3611644
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 110637578
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 169371487

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide (CID 18197748) is 4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is RSIYFSSFPBHEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-3-9-19(10-4-15)24(22,23)20-17-5-7-18(8-6-17)21-13-11-16(2)12-14-21/h3-10,16,20H,11-14H2,1-2H3.
What are the key properties of 4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide?
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 18197748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).