2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine

C10H14F3N3O2S — CID 114804848

IUPAC2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine
SMILESCc1cc(N)cc(C)c1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-6-3-8(14)4-7(2)9(6)16-19(17,18)15-5-10(11,12)13/h3-4,15-16H,5,14H2,1-2H3
InChIKeyGVAXJOAWSGEPGI-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.69
Rot. Bonds4

About 2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine

2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine (PubChem CID 114804848) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine
PubChem CID114804848
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine
SMILESCc1cc(N)cc(C)c1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-6-3-8(14)4-7(2)9(6)16-19(17,18)15-5-10(11,12)13/h3-4,15-16H,5,14H2,1-2H3
InChIKeyGVAXJOAWSGEPGI-UHFFFAOYSA-N
XLogP1.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804603
1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine
CID 114804849
4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 107575153
2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804202
3-iodo-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114257227
4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114803608
2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine
CID 114270033
4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114808728
3,6-dichloro-2-(2,2,2-trifluoroethylsulfamoylamino)benzoic acid
CID 107049514
5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29033942
methyl 5-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)benzoate
CID 114811459
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine (CID 114804848) is 2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine is Cc1cc(N)cc(C)c1NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine?
The InChIKey is GVAXJOAWSGEPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-6-3-8(14)4-7(2)9(6)16-19(17,18)15-5-10(11,12)13/h3-4,15-16H,5,14H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine?
2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine has a molecular weight of 297.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine is sourced from PubChem (CID 114804848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).