N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

C19H12ClF3N2O3S — CID 10388551

IUPACN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12ClF3N2O3S/c20-14-3-6-17(16(11-14)18(26)12-7-9-24-10-8-12)25-29(27,28)15-4-1-13(2-5-15)19(21,22)23/h1-11,25H
InChIKeyVCIPMBGBHIKDLX-UHFFFAOYSA-N
MW440.83 g/mol
LogP4.79
Rot. Bonds5

About N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 10388551) has the molecular formula C19H12ClF3N2O3S and a molecular weight of 440.83 g/mol. Its IUPAC name is N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID10388551
Molecular FormulaC19H12ClF3N2O3S
Molecular Weight440.83 g/mol
Exact Mass440.02
IUPAC NameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12ClF3N2O3S/c20-14-3-6-17(16(11-14)18(26)12-7-9-24-10-8-12)25-29(27,28)15-4-1-13(2-5-15)19(21,22)23/h1-11,25H
InChIKeyVCIPMBGBHIKDLX-UHFFFAOYSA-N
XLogP4.79
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.83
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 10388551) is N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VCIPMBGBHIKDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O3S/c20-14-3-6-17(16(11-14)18(26)12-7-9-24-10-8-12)25-29(27,28)15-4-1-13(2-5-15)19(21,22)23/h1-11,25H.
What are the key properties of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 440.83 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 10388551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).