3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide

C22H22N2O5S2 — CID 26950297

IUPAC3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1
InChIInChI=1S/C22H22N2O5S2/c1-15-5-4-6-19(13-15)23-31(28,29)21-10-7-16(2)22(14-21)24-30(26,27)20-11-8-18(9-12-20)17(3)25/h4-14,23-24H,1-3H3
InChIKeyIPHYFTBPVVDJCN-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.11
Rot. Bonds7

About 3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide

3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 26950297) has the molecular formula C22H22N2O5S2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID26950297
Molecular FormulaC22H22N2O5S2
Molecular Weight458.56 g/mol
Exact Mass458.10
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1
InChIInChI=1S/C22H22N2O5S2/c1-15-5-4-6-19(13-15)23-31(28,29)21-10-7-16(2)22(14-21)24-30(26,27)20-11-8-18(9-12-20)17(3)25/h4-14,23-24H,1-3H3
InChIKeyIPHYFTBPVVDJCN-UHFFFAOYSA-N
XLogP4.11
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 60532585
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
CID 109061685
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
N-(3-acetylphenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 2929512

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 26950297) is 3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is IPHYFTBPVVDJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S2/c1-15-5-4-6-19(13-15)23-31(28,29)21-10-7-16(2)22(14-21)24-30(26,27)20-11-8-18(9-12-20)17(3)25/h4-14,23-24H,1-3H3.
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 458.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 26950297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).