2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide

C8H6Cl2F3NO2S — CID 21022075

IUPAC2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6Cl2F3NO2S/c1-14-17(15,16)7-5(9)2-4(3-6(7)10)8(11,12)13/h2-3,14H,1H3
InChIKeyAMDOAPWATVKYDB-UHFFFAOYSA-N
MW308.11 g/mol
LogP2.92
Rot. Bonds2

About 2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide

2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 21022075) has the molecular formula C8H6Cl2F3NO2S and a molecular weight of 308.11 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID21022075
Molecular FormulaC8H6Cl2F3NO2S
Molecular Weight308.11 g/mol
Exact Mass306.94
IUPAC Name2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6Cl2F3NO2S/c1-14-17(15,16)7-5(9)2-4(3-6(7)10)8(11,12)13/h2-3,14H,1H3
InChIKeyAMDOAPWATVKYDB-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 32673216
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CID 18338302
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CID 18338332
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CID 20621952
CID 20621952

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide (CID 21022075) is 2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide is CNS(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AMDOAPWATVKYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3NO2S/c1-14-17(15,16)7-5(9)2-4(3-6(7)10)8(11,12)13/h2-3,14H,1H3.
What are the key properties of 2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 308.11 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 21022075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).