4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C12H12F2N2O4S — CID 75476941

IUPAC4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)no1
InChIInChI=1S/C12H12F2N2O4S/c1-8-6-12(15-20-8)16-21(17,18)10-4-2-9(3-5-10)19-7-11(13)14/h2-6,11H,7H2,1H3,(H,15,16)
InChIKeyVCRREMVOMWIJII-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.43
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 75476941) has the molecular formula C12H12F2N2O4S and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID75476941
Molecular FormulaC12H12F2N2O4S
Molecular Weight318.30 g/mol
Exact Mass318.05
IUPAC Name4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)no1
InChIInChI=1S/C12H12F2N2O4S/c1-8-6-12(15-20-8)16-21(17,18)10-4-2-9(3-5-10)19-7-11(13)14/h2-6,11H,7H2,1H3,(H,15,16)
InChIKeyVCRREMVOMWIJII-UHFFFAOYSA-N
XLogP2.43
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 57350054
CID 57350054
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 9067995
4-(2-bromoethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153356564
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitrophenoxy)benzenesulfonamide
CID 2907889
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2808955

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 75476941) is 4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)no1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is VCRREMVOMWIJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O4S/c1-8-6-12(15-20-8)16-21(17,18)10-4-2-9(3-5-10)19-7-11(13)14/h2-6,11H,7H2,1H3,(H,15,16).
What are the key properties of 4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 318.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 75476941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).