5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide

C22H22ClNO4S2 — CID 57430116

IUPAC5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2C)cc1
InChIInChI=1S/C22H22ClNO4S2/c1-16-3-6-18(7-4-16)13-14-24-30(27,28)22-15-21(10-5-17(22)2)29(25,26)20-11-8-19(23)9-12-20/h3-12,15,24H,13-14H2,1-2H3
InChIKeyYPZBTMPEOKVOOU-UHFFFAOYSA-N
MW464.01 g/mol
LogP4.31
Rot. Bonds7

About 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide

5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 57430116) has the molecular formula C22H22ClNO4S2 and a molecular weight of 464.01 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID57430116
Molecular FormulaC22H22ClNO4S2
Molecular Weight464.01 g/mol
Exact Mass463.07
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2C)cc1
InChIInChI=1S/C22H22ClNO4S2/c1-16-3-6-18(7-4-16)13-14-24-30(27,28)22-15-21(10-5-17(22)2)29(25,26)20-11-8-19(23)9-12-20/h3-12,15,24H,13-14H2,1-2H3
InChIKeyYPZBTMPEOKVOOU-UHFFFAOYSA-N
XLogP4.31
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 57430126
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 57430119
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979112
N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 1089389
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979226
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 877222

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide (CID 57430116) is 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide is Cc1ccc(CCNS(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2C)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is YPZBTMPEOKVOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO4S2/c1-16-3-6-18(7-4-16)13-14-24-30(27,28)22-15-21(10-5-17(22)2)29(25,26)20-11-8-19(23)9-12-20/h3-12,15,24H,13-14H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide?
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 464.01 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 57430116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).