2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine

C8H10F3N3O2S — CID 114804202

IUPAC2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
SMILESNc1ccccc1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)5-13-17(15,16)14-7-4-2-1-3-6(7)12/h1-4,13-14H,5,12H2
InChIKeyOBRHGHRDIHNSPY-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.08
Rot. Bonds4

About 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine

2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine (PubChem CID 114804202) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
PubChem CID114804202
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
SMILESNc1ccccc1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)5-13-17(15,16)14-7-4-2-1-3-6(7)12/h1-4,13-14H,5,12H2
InChIKeyOBRHGHRDIHNSPY-UHFFFAOYSA-N
XLogP1.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine
CID 114270033
N-(2-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43605598
3-iodo-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114257227
4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]aniline
CID 114804619
4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114808728
2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine
CID 114804848
4-fluoro-2-(2,2,2-trifluoroethylsulfamoylamino)benzoic acid
CID 114805323
5-bromo-3-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804603
3-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyridin-2-amine
CID 103094565
4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114803608
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide
CID 114812357
2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114811374

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine (CID 114804202) is 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine is Nc1ccccc1NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine?
The InChIKey is OBRHGHRDIHNSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c9-8(10,11)5-13-17(15,16)14-7-4-2-1-3-6(7)12/h1-4,13-14H,5,12H2.
What are the key properties of 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine?
2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine has a molecular weight of 269.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine is sourced from PubChem (CID 114804202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).