N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide

C24H22ClNO4S — CID 134870279

IUPACN-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(C(=O)CN(CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H22ClNO4S/c1-17-3-7-19(8-4-17)23(27)15-26(16-24(28)20-9-11-21(25)12-10-20)31(29,30)22-13-5-18(2)6-14-22/h3-14H,15-16H2,1-2H3
InChIKeyTYUITCKBSGRFMR-UHFFFAOYSA-N
MW455.96 g/mol
LogP4.71
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide

N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 134870279) has the molecular formula C24H22ClNO4S and a molecular weight of 455.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID134870279
Molecular FormulaC24H22ClNO4S
Molecular Weight455.96 g/mol
Exact Mass455.10
IUPAC NameN-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(C(=O)CN(CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H22ClNO4S/c1-17-3-7-19(8-4-17)23(27)15-26(16-24(28)20-9-11-21(25)12-10-20)31(29,30)22-13-5-18(2)6-14-22/h3-14H,15-16H2,1-2H3
InChIKeyTYUITCKBSGRFMR-UHFFFAOYSA-N
XLogP4.71
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.96
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide (CID 134870279) is N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide is Cc1ccc(C(=O)CN(CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is TYUITCKBSGRFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4S/c1-17-3-7-19(8-4-17)23(27)15-26(16-24(28)20-9-11-21(25)12-10-20)31(29,30)22-13-5-18(2)6-14-22/h3-14H,15-16H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide?
N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 455.96 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 134870279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).