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

C12H12ClFN2O3S — CID 71851159

IUPAC2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(C)c(F)cc2Cl)o1
InChIInChI=1S/C12H12ClFN2O3S/c1-7-3-11(9(13)4-10(7)14)20(17,18)16-6-12-15-5-8(2)19-12/h3-5,16H,6H2,1-2H3
InChIKeyYRKGPOWRFIHXIK-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.56
Rot. Bonds4

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

2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 71851159) has the molecular formula C12H12ClFN2O3S and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID71851159
Molecular FormulaC12H12ClFN2O3S
Molecular Weight318.76 g/mol
Exact Mass318.02
IUPAC Name2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(C)c(F)cc2Cl)o1
InChIInChI=1S/C12H12ClFN2O3S/c1-7-3-11(9(13)4-10(7)14)20(17,18)16-6-12-15-5-8(2)19-12/h3-5,16H,6H2,1-2H3
InChIKeyYRKGPOWRFIHXIK-UHFFFAOYSA-N
XLogP2.56
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 71851159) is 2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2cc(C)c(F)cc2Cl)o1.
What is the InChIKey of 2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is YRKGPOWRFIHXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3S/c1-7-3-11(9(13)4-10(7)14)20(17,18)16-6-12-15-5-8(2)19-12/h3-5,16H,6H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 318.76 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71851159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).