N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

C14H11ClF3NO2S — CID 169369956

IUPACN-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C14H11ClF3NO2S/c1-9-2-5-11(6-3-9)22(20,21)19-10-4-7-12(13(15)8-10)14(16,17)18/h2-8,19H,1H3
InChIKeyZETDNPCJRYOFRU-UHFFFAOYSA-N
MW349.76 g/mol
LogP4.47
Rot. Bonds3

About N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169369956) has the molecular formula C14H11ClF3NO2S and a molecular weight of 349.76 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169369956
Molecular FormulaC14H11ClF3NO2S
Molecular Weight349.76 g/mol
Exact Mass349.02
IUPAC NameN-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C14H11ClF3NO2S/c1-9-2-5-11(6-3-9)22(20,21)19-10-4-7-12(13(15)8-10)14(16,17)18/h2-8,19H,1H3
InChIKeyZETDNPCJRYOFRU-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

N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370063
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 126128473
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544
N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370810
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694529
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (CID 169369956) is N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is ZETDNPCJRYOFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2S/c1-9-2-5-11(6-3-9)22(20,21)19-10-4-7-12(13(15)8-10)14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
N-[3-chloro-4-(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-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169369956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).