4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide

C9H7F6NO2S — CID 119021771

IUPAC4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(C(F)(F)F)c(S(N)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO2S/c1-4-2-5(8(10,11)12)7(19(16,17)18)6(3-4)9(13,14)15/h2-3H,1H3,(H2,16,17,18)
InChIKeyIGUMAXKTCQHBQC-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.68
Rot. Bonds1

About 4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide

4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 119021771) has the molecular formula C9H7F6NO2S and a molecular weight of 307.22 g/mol. Its IUPAC name is 4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
PubChem CID119021771
Molecular FormulaC9H7F6NO2S
Molecular Weight307.22 g/mol
Exact Mass307.01
IUPAC Name4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(C(F)(F)F)c(S(N)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO2S/c1-4-2-5(8(10,11)12)7(19(16,17)18)6(3-4)9(13,14)15/h2-3H,1H3,(H2,16,17,18)
InChIKeyIGUMAXKTCQHBQC-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

2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide
CID 118998718
4-methyl-2,6-bis(trifluoromethyl)aniline
CID 58782199
2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide
CID 119003736
2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 119010128
5-methyl-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 21350863
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 119007924
2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide
CID 134623910
2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448648
1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene
CID 135743181
2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline
CID 143122125
2-iodo-5-methyl-3-(trifluoromethyl)phenol
CID 171835549
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide (CID 119021771) is 4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide is Cc1cc(C(F)(F)F)c(S(N)(=O)=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is IGUMAXKTCQHBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO2S/c1-4-2-5(8(10,11)12)7(19(16,17)18)6(3-4)9(13,14)15/h2-3H,1H3,(H2,16,17,18).
What are the key properties of 4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide?
4-methyl-2,6-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 4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119021771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).