4-methyl-N,N-diphenacylbenzenesulfonamide

C23H21NO4S — CID 13015122

IUPAC4-methyl-N,N-diphenacylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO4S/c1-18-12-14-21(15-13-18)29(27,28)24(16-22(25)19-8-4-2-5-9-19)17-23(26)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyOOAVWISYXIDRDV-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.75
Rot. Bonds8

About 4-methyl-N,N-diphenacylbenzenesulfonamide

4-methyl-N,N-diphenacylbenzenesulfonamide (PubChem CID 13015122) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is 4-methyl-N,N-diphenacylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N,N-diphenacylbenzenesulfonamide
PubChem CID13015122
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC Name4-methyl-N,N-diphenacylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO4S/c1-18-12-14-21(15-13-18)29(27,28)24(16-22(25)19-8-4-2-5-9-19)17-23(26)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyOOAVWISYXIDRDV-UHFFFAOYSA-N
XLogP3.75
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide
CID 138760798
N-[(E)-4-bromobut-2-enyl]-4-methyl-N-(3-oxo-3-phenylpropyl)benzenesulfonamide
CID 71527527
3-[[2-(4-methylphenyl)-2-oxoethyl]-(4-nitrophenyl)sulfonylamino]propanoic acid
CID 25102509
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl 3-oxo-3-phenylpropanoate
CID 101135511
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
4-chloro-N-methyl-N-phenacylbenzenesulfonamide
CID 58597544
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
4-[[(4-carboxyphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 123408853
2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone
CID 59806297
N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide
CID 166121417
N,N-bis[(Z)-4,6-diphenylhex-3-en-5-ynyl]-4-methylbenzenesulfonamide
CID 25227650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-diphenacylbenzenesulfonamide?
The IUPAC name of 4-methyl-N,N-diphenacylbenzenesulfonamide (CID 13015122) is 4-methyl-N,N-diphenacylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N,N-diphenacylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N,N-diphenacylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N,N-diphenacylbenzenesulfonamide?
The InChIKey is OOAVWISYXIDRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-18-12-14-21(15-13-18)29(27,28)24(16-22(25)19-8-4-2-5-9-19)17-23(26)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3.
What are the key properties of 4-methyl-N,N-diphenacylbenzenesulfonamide?
4-methyl-N,N-diphenacylbenzenesulfonamide has a molecular weight of 407.49 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-diphenacylbenzenesulfonamide is sourced from PubChem (CID 13015122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).