4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide

C27H20F3NO3S — CID 122233649

IUPAC4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C27H20F3NO3S/c1-18-10-16-21(17-11-18)35(33,34)31-25-9-5-4-7-23(25)22-6-2-3-8-24(22)26(32)19-12-14-20(15-13-19)27(28,29)30/h2-17,31H,1H3
InChIKeyOAOVPMNECIHCDE-UHFFFAOYSA-N
MW495.52 g/mol
LogP6.71
Rot. Bonds6

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

4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide (PubChem CID 122233649) has the molecular formula C27H20F3NO3S and a molecular weight of 495.52 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide
PubChem CID122233649
Molecular FormulaC27H20F3NO3S
Molecular Weight495.52 g/mol
Exact Mass495.11
IUPAC Name4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C27H20F3NO3S/c1-18-10-16-21(17-11-18)35(33,34)31-25-9-5-4-7-23(25)22-6-2-3-8-24(22)26(32)19-12-14-20(15-13-19)27(28,29)30/h2-17,31H,1H3
InChIKeyOAOVPMNECIHCDE-UHFFFAOYSA-N
XLogP6.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.52
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90626885
N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
CID 169372767
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
CID 154135516
4-methyl-N-[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]benzenesulfonamide
CID 169372712
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide (CID 122233649) is 4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2C(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide?
The InChIKey is OAOVPMNECIHCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3NO3S/c1-18-10-16-21(17-11-18)35(33,34)31-25-9-5-4-7-23(25)22-6-2-3-8-24(22)26(32)19-12-14-20(15-13-19)27(28,29)30/h2-17,31H,1H3.
What are the key properties of 4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide?
4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide has a molecular weight of 495.52 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 122233649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).