4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide

C22H15ClF3N3O3S — CID 71655092

IUPAC4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide
SMILESN#Cc1c(C(F)(F)F)cc(C2CC2)nc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H15ClF3N3O3S/c23-14-6-8-17(9-7-14)33(30,31)29-15-2-1-3-16(10-15)32-21-18(12-27)19(22(24,25)26)11-20(28-21)13-4-5-13/h1-3,6-11,13,29H,4-5H2
InChIKeyFOFKDNXUVNAELV-UHFFFAOYSA-N
MW493.89 g/mol
LogP6.10
Rot. Bonds6

About 4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide

4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide (PubChem CID 71655092) has the molecular formula C22H15ClF3N3O3S and a molecular weight of 493.89 g/mol. Its IUPAC name is 4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide
PubChem CID71655092
Molecular FormulaC22H15ClF3N3O3S
Molecular Weight493.89 g/mol
Exact Mass493.05
IUPAC Name4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide
SMILESN#Cc1c(C(F)(F)F)cc(C2CC2)nc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H15ClF3N3O3S/c23-14-6-8-17(9-7-14)33(30,31)29-15-2-1-3-16(10-15)32-21-18(12-27)19(22(24,25)26)11-20(28-21)13-4-5-13/h1-3,6-11,13,29H,4-5H2
InChIKeyFOFKDNXUVNAELV-UHFFFAOYSA-N
XLogP6.10
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.89
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide (CID 71655092) is 4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide is N#Cc1c(C(F)(F)F)cc(C2CC2)nc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide?
The InChIKey is FOFKDNXUVNAELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3S/c23-14-6-8-17(9-7-14)33(30,31)29-15-2-1-3-16(10-15)32-21-18(12-27)19(22(24,25)26)11-20(28-21)13-4-5-13/h1-3,6-11,13,29H,4-5H2.
What are the key properties of 4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide?
4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide has a molecular weight of 493.89 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 71655092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).