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

C12H8ClF3N2O2S — CID 4116007

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1
InChIInChI=1S/C12H8ClF3N2O2S/c13-11-4-3-8(6-10(11)12(14,15)16)18-21(19,20)9-2-1-5-17-7-9/h1-7,18H
InChIKeyQTHGQMYDPCVJGH-UHFFFAOYSA-N
MW336.72 g/mol
LogP3.55
Rot. Bonds3

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

N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide (PubChem CID 4116007) has the molecular formula C12H8ClF3N2O2S and a molecular weight of 336.72 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
PubChem CID4116007
Molecular FormulaC12H8ClF3N2O2S
Molecular Weight336.72 g/mol
Exact Mass335.99
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1
InChIInChI=1S/C12H8ClF3N2O2S/c13-11-4-3-8(6-10(11)12(14,15)16)18-21(19,20)9-2-1-5-17-7-9/h1-7,18H
InChIKeyQTHGQMYDPCVJGH-UHFFFAOYSA-N
XLogP3.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.72
LogP ≤ 53.55
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]pyridine-3-sulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide (CID 4116007) is N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide?
The InChIKey is QTHGQMYDPCVJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2S/c13-11-4-3-8(6-10(11)12(14,15)16)18-21(19,20)9-2-1-5-17-7-9/h1-7,18H.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide has a molecular weight of 336.72 g/mol, XLogP of 3.55, 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]pyridine-3-sulfonamide is sourced from PubChem (CID 4116007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).