3-methoxy-5-(trifluoromethyl)benzenesulfonamide

C8H8F3NO3S — CID 134627197

IUPAC3-methoxy-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(C(F)(F)F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C8H8F3NO3S/c1-15-6-2-5(8(9,10)11)3-7(4-6)16(12,13)14/h2-4H,1H3,(H2,12,13,14)
InChIKeyMJXSZWFAWVZLNT-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.36
Rot. Bonds2

About 3-methoxy-5-(trifluoromethyl)benzenesulfonamide

3-methoxy-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 134627197) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is 3-methoxy-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-5-(trifluoromethyl)benzenesulfonamide
PubChem CID134627197
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name3-methoxy-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(C(F)(F)F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C8H8F3NO3S/c1-15-6-2-5(8(9,10)11)3-7(4-6)16(12,13)14/h2-4H,1H3,(H2,12,13,14)
InChIKeyMJXSZWFAWVZLNT-UHFFFAOYSA-N
XLogP1.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 143940241
1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
CID 166607829
3-methoxybenzenesulfonamide
CID 14763060
1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene
CID 90993757
1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 121297371
CID 70262336
CID 70262336
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
4-[3-methoxy-5-(trifluoromethyl)phenyl]but-3-enal
CID 170482691
1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117337696
ethane;3-methoxy-5-(trifluoromethyl)pyridine
CID 176999703
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 16526072
ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate
CID 134633121

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-methoxy-5-(trifluoromethyl)benzenesulfonamide (CID 134627197) is 3-methoxy-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-5-(trifluoromethyl)benzenesulfonamide is COc1cc(C(F)(F)F)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-methoxy-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MJXSZWFAWVZLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c1-15-6-2-5(8(9,10)11)3-7(4-6)16(12,13)14/h2-4H,1H3,(H2,12,13,14).
What are the key properties of 3-methoxy-5-(trifluoromethyl)benzenesulfonamide?
3-methoxy-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 255.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134627197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).