4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide

C22H21NO3S — CID 13139068

IUPAC4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C(=O)c2cc(C)ccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO3S/c1-15-4-9-18(10-5-15)22(24)20-14-17(3)8-13-21(20)23-27(25,26)19-11-6-16(2)7-12-19/h4-14,23H,1-3H3
InChIKeyBLHYGALFFUTFSI-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.64
Rot. Bonds5

About 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide

4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide (PubChem CID 13139068) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
PubChem CID13139068
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C(=O)c2cc(C)ccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO3S/c1-15-4-9-18(10-5-15)22(24)20-14-17(3)8-13-21(20)23-27(25,26)19-11-6-16(2)7-12-19/h4-14,23H,1-3H3
InChIKeyBLHYGALFFUTFSI-UHFFFAOYSA-N
XLogP4.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-methyl-2-(2-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59788740
N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 102223921
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
N-[2-(3-chlorobenzoyl)-4-methylphenyl]-4-ethylbenzenesulfonamide
CID 70842369
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043946
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide (CID 13139068) is 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide is Cc1ccc(C(=O)c2cc(C)ccc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide?
The InChIKey is BLHYGALFFUTFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-15-4-9-18(10-5-15)22(24)20-14-17(3)8-13-21(20)23-27(25,26)19-11-6-16(2)7-12-19/h4-14,23H,1-3H3.
What are the key properties of 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide?
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 13139068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).