N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C11H7ClF3NO2S2 — CID 738072

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C11H7ClF3NO2S2/c12-9-4-3-7(6-8(9)11(13,14)15)16-20(17,18)10-2-1-5-19-10/h1-6,16H
InChIKeyYRDLEJGMSHDJOR-UHFFFAOYSA-N
MW341.76 g/mol
LogP4.22
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 738072) has the molecular formula C11H7ClF3NO2S2 and a molecular weight of 341.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID738072
Molecular FormulaC11H7ClF3NO2S2
Molecular Weight341.76 g/mol
Exact Mass340.96
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C11H7ClF3NO2S2/c12-9-4-3-7(6-8(9)11(13,14)15)16-20(17,18)10-2-1-5-19-10/h1-6,16H
InChIKeyYRDLEJGMSHDJOR-UHFFFAOYSA-N
XLogP4.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 738072) is N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is YRDLEJGMSHDJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO2S2/c12-9-4-3-7(6-8(9)11(13,14)15)16-20(17,18)10-2-1-5-19-10/h1-6,16H.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 341.76 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 738072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).