3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide

C22H21ClN2O4S2 — CID 72685051

IUPAC3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)C=Cc3ccccc3Cl)c2)c1
InChIInChI=1S/C22H21ClN2O4S2/c1-16-6-5-8-19(14-16)24-31(28,29)20-11-10-17(2)22(15-20)25-30(26,27)13-12-18-7-3-4-9-21(18)23/h3-15,24-25H,1-2H3
InChIKeyFXIGHKGJRAKMRO-UHFFFAOYSA-N
MW477.01 g/mol
LogP5.17
Rot. Bonds7

About 3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide

3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 72685051) has the molecular formula C22H21ClN2O4S2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID72685051
Molecular FormulaC22H21ClN2O4S2
Molecular Weight477.01 g/mol
Exact Mass476.06
IUPAC Name3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)C=Cc3ccccc3Cl)c2)c1
InChIInChI=1S/C22H21ClN2O4S2/c1-16-6-5-8-19(14-16)24-31(28,29)20-11-10-17(2)22(15-20)25-30(26,27)13-12-18-7-3-4-9-21(18)23/h3-15,24-25H,1-2H3
InChIKeyFXIGHKGJRAKMRO-UHFFFAOYSA-N
XLogP5.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 26950297
2-fluoro-5-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 60532585
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 71835207
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 72685051) is 3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)C=Cc3ccccc3Cl)c2)c1.
What is the InChIKey of 3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is FXIGHKGJRAKMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S2/c1-16-6-5-8-19(14-16)24-31(28,29)20-11-10-17(2)22(15-20)25-30(26,27)13-12-18-7-3-4-9-21(18)23/h3-15,24-25H,1-2H3.
What are the key properties of 3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 477.01 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 72685051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).