4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide

C16H13ClF3NO3S — CID 110604269

IUPAC4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C16H13ClF3NO3S/c1-10(22)11-3-6-13(7-4-11)25(23,24)21(2)15-9-12(16(18,19)20)5-8-14(15)17/h3-9H,1-2H3
InChIKeyOEUGDGVQYHZPQP-UHFFFAOYSA-N
MW391.80 g/mol
LogP4.39
Rot. Bonds4

About 4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide

4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 110604269) has the molecular formula C16H13ClF3NO3S and a molecular weight of 391.80 g/mol. Its IUPAC name is 4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID110604269
Molecular FormulaC16H13ClF3NO3S
Molecular Weight391.80 g/mol
Exact Mass391.03
IUPAC Name4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C16H13ClF3NO3S/c1-10(22)11-3-6-13(7-4-11)25(23,24)21(2)15-9-12(16(18,19)20)5-8-14(15)17/h3-9H,1-2H3
InChIKeyOEUGDGVQYHZPQP-UHFFFAOYSA-N
XLogP4.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.80
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
CID 84511027
1-[4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]phenyl]ethanone
CID 16753959
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide
CID 110604267
2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 50893695
1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene
CID 110613248
methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 110604261
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 1311493
1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 82080672
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126
propan-2-yl 2-[N-(4-acetamidophenyl)sulfonyl-2-chloro-5-(trifluoromethyl)anilino]acetate
CID 50889378
2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 26950715
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide (CID 110604269) is 4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is OEUGDGVQYHZPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO3S/c1-10(22)11-3-6-13(7-4-11)25(23,24)21(2)15-9-12(16(18,19)20)5-8-14(15)17/h3-9H,1-2H3.
What are the key properties of 4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide?
4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 391.80 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 110604269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).