N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide

C27H29ClN2O3S — CID 1000666

IUPACN-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C27H29ClN2O3S/c1-20-7-13-24(14-8-20)34(32,33)30(19-22-9-11-23(28)12-10-22)26-6-4-3-5-25(26)27(31)29-17-15-21(2)16-18-29/h3-14,21H,15-19H2,1-2H3
InChIKeyGJSBPPYWNGVVLX-UHFFFAOYSA-N
MW497.06 g/mol
LogP5.92
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide

N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1000666) has the molecular formula C27H29ClN2O3S and a molecular weight of 497.06 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID1000666
Molecular FormulaC27H29ClN2O3S
Molecular Weight497.06 g/mol
Exact Mass496.16
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C27H29ClN2O3S/c1-20-7-13-24(14-8-20)34(32,33)30(19-22-9-11-23(28)12-10-22)26-6-4-3-5-25(26)27(31)29-17-15-21(2)16-18-29/h3-14,21H,15-19H2,1-2H3
InChIKeyGJSBPPYWNGVVLX-UHFFFAOYSA-N
XLogP5.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.06
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 99941642
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide
CID 99644429
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 133165406
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94864403
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 126032040
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide
CID 1108722
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide
CID 3518058
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 99939670
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 4296623
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 126010590
N-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-4-methylbenzenesulfonamide
CID 126386482
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
CID 124544509

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 1000666) is N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is GJSBPPYWNGVVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3S/c1-20-7-13-24(14-8-20)34(32,33)30(19-22-9-11-23(28)12-10-22)26-6-4-3-5-25(26)27(31)29-17-15-21(2)16-18-29/h3-14,21H,15-19H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 497.06 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1000666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).