N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide

C18H14ClFN2O3S — CID 164625299

IUPACN-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(F)c1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H14ClFN2O3S/c19-15-8-5-13(9-16(15)20)22-26(23,24)14-6-3-11(4-7-14)17-10-21-18(25-17)12-1-2-12/h3-10,12,22H,1-2H2
InChIKeyDYIDGYBTJQFUEN-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.81
Rot. Bonds5

About N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide

N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 164625299) has the molecular formula C18H14ClFN2O3S and a molecular weight of 392.84 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID164625299
Molecular FormulaC18H14ClFN2O3S
Molecular Weight392.84 g/mol
Exact Mass392.04
IUPAC NameN-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(F)c1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H14ClFN2O3S/c19-15-8-5-13(9-16(15)20)22-26(23,24)14-6-3-11(4-7-14)17-10-21-18(25-17)12-1-2-12/h3-10,12,22H,1-2H2
InChIKeyDYIDGYBTJQFUEN-UHFFFAOYSA-N
XLogP4.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 164625299) is N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(F)c1)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is DYIDGYBTJQFUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3S/c19-15-8-5-13(9-16(15)20)22-26(23,24)14-6-3-11(4-7-14)17-10-21-18(25-17)12-1-2-12/h3-10,12,22H,1-2H2.
What are the key properties of N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 392.84 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 164625299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).