5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide

C9H7F6NO2S — CID 119007924

IUPAC5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H7F6NO2S/c1-4-2-7(19(16,17)18)6(9(13,14)15)3-5(4)8(10,11)12/h2-3H,1H3,(H2,16,17,18)
InChIKeyPYLXJADTSHYAJP-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.68
Rot. Bonds1

About 5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide

5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 119007924) has the molecular formula C9H7F6NO2S and a molecular weight of 307.22 g/mol. Its IUPAC name is 5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
PubChem CID119007924
Molecular FormulaC9H7F6NO2S
Molecular Weight307.22 g/mol
Exact Mass307.01
IUPAC Name5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H7F6NO2S/c1-4-2-7(19(16,17)18)6(9(13,14)15)3-5(4)8(10,11)12/h2-3H,1H3,(H2,16,17,18)
InChIKeyPYLXJADTSHYAJP-UHFFFAOYSA-N
XLogP2.68
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide
CID 154143738
4-ethyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 119003631
4-formyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 134638617
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
4-(trifluoromethyl)benzene-1,3-disulfonamide
CID 154218249
4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
CID 119021771
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609
2,4,5-trimethylbenzenesulfonamide
CID 961422
2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 122525641
2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide
CID 131297995
4-amino-5-sulfamoyl-2-(trifluoromethyl)benzenesulfonic acid
CID 174929186
2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
CID 154136746

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide (CID 119007924) is 5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide is Cc1cc(S(N)(=O)=O)c(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is PYLXJADTSHYAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO2S/c1-4-2-7(19(16,17)18)6(9(13,14)15)3-5(4)8(10,11)12/h2-3H,1H3,(H2,16,17,18).
What are the key properties of 5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide?
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 307.22 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119007924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).