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

C14H11ClF3NO2S — CID 113098709

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H11ClF3NO2S/c1-9-4-2-3-5-13(9)22(20,21)19-12-8-10(14(16,17)18)6-7-11(12)15/h2-8,19H,1H3
InChIKeyBXBAQJHURQMVAG-UHFFFAOYSA-N
MW349.76 g/mol
LogP4.47
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide (PubChem CID 113098709) has the molecular formula C14H11ClF3NO2S and a molecular weight of 349.76 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide
PubChem CID113098709
Molecular FormulaC14H11ClF3NO2S
Molecular Weight349.76 g/mol
Exact Mass349.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H11ClF3NO2S/c1-9-4-2-3-5-13(9)22(20,21)19-12-8-10(14(16,17)18)6-7-11(12)15/h2-8,19H,1H3
InChIKeyBXBAQJHURQMVAG-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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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide (CID 113098709) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is BXBAQJHURQMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2S/c1-9-4-2-3-5-13(9)22(20,21)19-12-8-10(14(16,17)18)6-7-11(12)15/h2-8,19H,1H3.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-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-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113098709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).