3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide

C14H13F2NO3S — CID 126731002

IUPAC3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
SMILESCc1ccc(OC(F)F)c(-c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C14H13F2NO3S/c1-9-5-6-13(20-14(15)16)12(7-9)10-3-2-4-11(8-10)21(17,18)19/h2-8,14H,1H3,(H2,17,18,19)
InChIKeyOCQLORINEZDODB-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.91
Rot. Bonds4

About 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide

3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide (PubChem CID 126731002) has the molecular formula C14H13F2NO3S and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
PubChem CID126731002
Molecular FormulaC14H13F2NO3S
Molecular Weight313.32 g/mol
Exact Mass313.06
IUPAC Name3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
SMILESCc1ccc(OC(F)F)c(-c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C14H13F2NO3S/c1-9-5-6-13(20-14(15)16)12(7-9)10-3-2-4-11(8-10)21(17,18)19/h2-8,14H,1H3,(H2,17,18,19)
InChIKeyOCQLORINEZDODB-UHFFFAOYSA-N
XLogP2.91
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide
CID 126715220
3-[2-(difluoromethoxy)-5-methylphenyl]benzamide
CID 126731000
3-methylbenzenesulfonamide
CID 69347063
3-(3,5-dimethylphenyl)benzenesulfonamide
CID 140585676
3-(2-fluorophenyl)benzenesulfonamide
CID 71091103
3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride
CID 158036686
3-(difluoromethoxy)-4-(3-methylphenyl)benzoic acid
CID 164888618
3-[2-(difluoromethoxy)-5-hydroxyphenyl]benzamide
CID 118446648
1-chloro-4-methyl-2-(3-methylsulfonylphenyl)benzene
CID 141198663
benzene-1,3-disulfonamide
CID 3090044
ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide
CID 144505728
5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide
CID 177254612

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide?
The IUPAC name of 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide (CID 126731002) is 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide?
The canonical SMILES for 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide is Cc1ccc(OC(F)F)c(-c2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide?
The InChIKey is OCQLORINEZDODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-9-5-6-13(20-14(15)16)12(7-9)10-3-2-4-11(8-10)21(17,18)19/h2-8,14H,1H3,(H2,17,18,19).
What are the key properties of 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide?
3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide has a molecular weight of 313.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 126731002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).