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

C14H10ClF4NO2S — CID 100690587

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H10ClF4NO2S/c1-8-6-10(16)3-5-13(8)23(21,22)20-12-7-9(14(17,18)19)2-4-11(12)15/h2-7,20H,1H3
InChIKeyXJIUUBKKAHBCEA-UHFFFAOYSA-N
MW367.75 g/mol
LogP4.61
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 100690587) has the molecular formula C14H10ClF4NO2S and a molecular weight of 367.75 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID100690587
Molecular FormulaC14H10ClF4NO2S
Molecular Weight367.75 g/mol
Exact Mass367.01
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H10ClF4NO2S/c1-8-6-10(16)3-5-13(8)23(21,22)20-12-7-9(14(17,18)19)2-4-11(12)15/h2-7,20H,1H3
InChIKeyXJIUUBKKAHBCEA-UHFFFAOYSA-N
XLogP4.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.75
LogP ≤ 54.61
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]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide (CID 100690587) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is XJIUUBKKAHBCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO2S/c1-8-6-10(16)3-5-13(8)23(21,22)20-12-7-9(14(17,18)19)2-4-11(12)15/h2-7,20H,1H3.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 367.75 g/mol, XLogP of 4.61, 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]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 100690587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).