N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide

C22H24ClFN2O4S — CID 71543509

IUPACN-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1noc(C)c1COc1ccc(S(=O)(=O)N(CC(C)C)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C22H24ClFN2O4S/c1-14(2)12-26(22-11-17(23)5-10-21(22)24)31(27,28)19-8-6-18(7-9-19)29-13-20-15(3)25-30-16(20)4/h5-11,14H,12-13H2,1-4H3
InChIKeySSDFPACUWLDVKH-UHFFFAOYSA-N
MW466.96 g/mol
LogP5.51
Rot. Bonds8

About N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide

N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 71543509) has the molecular formula C22H24ClFN2O4S and a molecular weight of 466.96 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID71543509
Molecular FormulaC22H24ClFN2O4S
Molecular Weight466.96 g/mol
Exact Mass466.11
IUPAC NameN-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1noc(C)c1COc1ccc(S(=O)(=O)N(CC(C)C)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C22H24ClFN2O4S/c1-14(2)12-26(22-11-17(23)5-10-21(22)24)31(27,28)19-8-6-18(7-9-19)29-13-20-15(3)25-30-16(20)4/h5-11,14H,12-13H2,1-4H3
InChIKeySSDFPACUWLDVKH-UHFFFAOYSA-N
XLogP5.51
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.96
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide (CID 71543509) is N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide is Cc1noc(C)c1COc1ccc(S(=O)(=O)N(CC(C)C)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is SSDFPACUWLDVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O4S/c1-14(2)12-26(22-11-17(23)5-10-21(22)24)31(27,28)19-8-6-18(7-9-19)29-13-20-15(3)25-30-16(20)4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide?
N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 466.96 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 71543509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).