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

C14H11ClF3NO3S — CID 142896443

IUPAC2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O)c2)c(Cl)c1
InChIInChI=1S/C14H11ClF3NO3S/c1-8-2-5-13(11(15)6-8)23(21,22)19-9-3-4-10(12(20)7-9)14(16,17)18/h2-7,19-20H,1H3
InChIKeyKNSWEEKPFZGKCD-UHFFFAOYSA-N
MW365.76 g/mol
LogP4.17
Rot. Bonds3

About 2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 142896443) has the molecular formula C14H11ClF3NO3S and a molecular weight of 365.76 g/mol. Its IUPAC name is 2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID142896443
Molecular FormulaC14H11ClF3NO3S
Molecular Weight365.76 g/mol
Exact Mass365.01
IUPAC Name2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O)c2)c(Cl)c1
InChIInChI=1S/C14H11ClF3NO3S/c1-8-2-5-13(11(15)6-8)23(21,22)19-9-3-4-10(12(20)7-9)14(16,17)18/h2-7,19-20H,1H3
InChIKeyKNSWEEKPFZGKCD-UHFFFAOYSA-N
XLogP4.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (CID 142896443) is 2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KNSWEEKPFZGKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO3S/c1-8-2-5-13(11(15)6-8)23(21,22)19-9-3-4-10(12(20)7-9)14(16,17)18/h2-7,19-20H,1H3.
What are the key properties of 2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 365.76 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 142896443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).