1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide

C10H8ClFN2O3S — CID 99842068

IUPAC1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)Nc1ccon1
InChIInChI=1S/C10H8ClFN2O3S/c11-8-5-7(1-2-9(8)12)6-18(15,16)14-10-3-4-17-13-10/h1-5H,6H2,(H,13,14)
InChIKeyRCPAVEXBTGNVBA-UHFFFAOYSA-N
MW290.70 g/mol
LogP2.41
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide

1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 99842068) has the molecular formula C10H8ClFN2O3S and a molecular weight of 290.70 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID99842068
Molecular FormulaC10H8ClFN2O3S
Molecular Weight290.70 g/mol
Exact Mass289.99
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)Nc1ccon1
InChIInChI=1S/C10H8ClFN2O3S/c11-8-5-7(1-2-9(8)12)6-18(15,16)14-10-3-4-17-13-10/h1-5H,6H2,(H,13,14)
InChIKeyRCPAVEXBTGNVBA-UHFFFAOYSA-N
XLogP2.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide (CID 99842068) is 1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide is O=S(=O)(Cc1ccc(F)c(Cl)c1)Nc1ccon1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is RCPAVEXBTGNVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O3S/c11-8-5-7(1-2-9(8)12)6-18(15,16)14-10-3-4-17-13-10/h1-5H,6H2,(H,13,14).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide?
1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 290.70 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 99842068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).