4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide

C12H8ClF3N2O2S — CID 889815

IUPAC4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O2S/c13-11-4-3-9(6-10(11)12(14,15)16)21(19,20)18-8-2-1-5-17-7-8/h1-7,18H
InChIKeySHOLLWAGMFQDPW-UHFFFAOYSA-N
MW336.72 g/mol
LogP3.55
Rot. Bonds3

About 4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 889815) has the molecular formula C12H8ClF3N2O2S and a molecular weight of 336.72 g/mol. Its IUPAC name is 4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID889815
Molecular FormulaC12H8ClF3N2O2S
Molecular Weight336.72 g/mol
Exact Mass335.99
IUPAC Name4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O2S/c13-11-4-3-9(6-10(11)12(14,15)16)21(19,20)18-8-2-1-5-17-7-8/h1-7,18H
InChIKeySHOLLWAGMFQDPW-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 4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide (CID 889815) is 4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccnc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SHOLLWAGMFQDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2S/c13-11-4-3-9(6-10(11)12(14,15)16)21(19,20)18-8-2-1-5-17-7-8/h1-7,18H.
What are the key properties of 4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide 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 4-chloro-N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 889815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).