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

C14H11ClF3NO2S — CID 3761633

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO2S/c1-9-2-5-11(6-3-9)22(20,21)19-13-7-4-10(15)8-12(13)14(16,17)18/h2-8,19H,1H3
InChIKeyMYPZYVWBNICUHX-UHFFFAOYSA-N
MW349.76 g/mol
LogP4.47
Rot. Bonds3

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 3761633) has the molecular formula C14H11ClF3NO2S and a molecular weight of 349.76 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID3761633
Molecular FormulaC14H11ClF3NO2S
Molecular Weight349.76 g/mol
Exact Mass349.02
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO2S/c1-9-2-5-11(6-3-9)22(20,21)19-13-7-4-10(15)8-12(13)14(16,17)18/h2-8,19H,1H3
InChIKeyMYPZYVWBNICUHX-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22201407
N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370810
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201415
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169373372
N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169373451
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
N-[5-bromo-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370041
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911752

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (CID 3761633) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is MYPZYVWBNICUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2S/c1-9-2-5-11(6-3-9)22(20,21)19-13-7-4-10(15)8-12(13)14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 349.76 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3761633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).