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

C19H18ClFN2O3S — CID 18081502

IUPAC3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESCc1noc(C)c1CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClFN2O3S/c1-13-19(14(2)26-22-13)12-23(11-15-6-8-17(21)9-7-15)27(24,25)18-5-3-4-16(20)10-18/h3-10H,11-12H2,1-2H3
InChIKeyLIDOCWAYFGUWPP-UHFFFAOYSA-N
MW408.88 g/mol
LogP4.48
Rot. Bonds6

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

3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 18081502) has the molecular formula C19H18ClFN2O3S and a molecular weight of 408.88 g/mol. Its IUPAC name is 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID18081502
Molecular FormulaC19H18ClFN2O3S
Molecular Weight408.88 g/mol
Exact Mass408.07
IUPAC Name3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESCc1noc(C)c1CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClFN2O3S/c1-13-19(14(2)26-22-13)12-23(11-15-6-8-17(21)9-7-15)27(24,25)18-5-3-4-16(20)10-18/h3-10H,11-12H2,1-2H3
InChIKeyLIDOCWAYFGUWPP-UHFFFAOYSA-N
XLogP4.48
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 18081502) is 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide is Cc1noc(C)c1CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is LIDOCWAYFGUWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3S/c1-13-19(14(2)26-22-13)12-23(11-15-6-8-17(21)9-7-15)27(24,25)18-5-3-4-16(20)10-18/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 408.88 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 18081502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).