1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide

C11H10ClFN2O3S — CID 99841878

IUPAC1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1conc1NS(=O)(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H10ClFN2O3S/c1-7-5-18-14-11(7)15-19(16,17)6-8-4-9(12)2-3-10(8)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyCNVUHVBOKCWDHV-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.72
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide

1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 99841878) has the molecular formula C11H10ClFN2O3S and a molecular weight of 304.73 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID99841878
Molecular FormulaC11H10ClFN2O3S
Molecular Weight304.73 g/mol
Exact Mass304.01
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1conc1NS(=O)(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H10ClFN2O3S/c1-7-5-18-14-11(7)15-19(16,17)6-8-4-9(12)2-3-10(8)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyCNVUHVBOKCWDHV-UHFFFAOYSA-N
XLogP2.72
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 75483842
CID 75483842
CID 75519233
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CID 99842068
CID 99842068
CID 19683319
CID 19683319
CID 75483840
CID 75483840
CID 75516328
CID 75516328
CID 75522421
CID 75522421
CID 75522830
CID 75522830
CID 84597569
CID 84597569
CID 84599405
CID 84599405
CID 97830594
CID 97830594
CID 97830595
CID 97830595

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 99841878) is 1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1conc1NS(=O)(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is CNVUHVBOKCWDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O3S/c1-7-5-18-14-11(7)15-19(16,17)6-8-4-9(12)2-3-10(8)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 304.73 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 99841878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).