2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine

C8H9ClF3N3O2S — CID 114270033

IUPAC2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine
SMILESNc1cccc(NS(=O)(=O)NCC(F)(F)F)c1Cl
InChIInChI=1S/C8H9ClF3N3O2S/c9-7-5(13)2-1-3-6(7)15-18(16,17)14-4-8(10,11)12/h1-3,14-15H,4,13H2
InChIKeyRLQDIHDNMWVJBJ-UHFFFAOYSA-N
MW303.69 g/mol
LogP1.73
Rot. Bonds4

About 2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine

2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine (PubChem CID 114270033) has the molecular formula C8H9ClF3N3O2S and a molecular weight of 303.69 g/mol. Its IUPAC name is 2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine
PubChem CID114270033
Molecular FormulaC8H9ClF3N3O2S
Molecular Weight303.69 g/mol
Exact Mass303.01
IUPAC Name2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine
SMILESNc1cccc(NS(=O)(=O)NCC(F)(F)F)c1Cl
InChIInChI=1S/C8H9ClF3N3O2S/c9-7-5(13)2-1-3-6(7)15-18(16,17)14-4-8(10,11)12/h1-3,14-15H,4,13H2
InChIKeyRLQDIHDNMWVJBJ-UHFFFAOYSA-N
XLogP1.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 51.73
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

2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804202
(3-amino-2-chlorophenyl)sulfamic acid
CID 57275519
3-iodo-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114257227
2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine
CID 114813679
3-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyridin-2-amine
CID 103094565
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide
CID 114812357
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
3,6-dichloro-2-(2,2,2-trifluoroethylsulfamoylamino)benzoic acid
CID 107049514
N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
CID 114270035
5-bromo-3-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804603

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine?
The IUPAC name of 2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine (CID 114270033) is 2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine.
What is the SMILES notation for 2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine?
The canonical SMILES for 2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine is Nc1cccc(NS(=O)(=O)NCC(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine?
The InChIKey is RLQDIHDNMWVJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O2S/c9-7-5(13)2-1-3-6(7)15-18(16,17)14-4-8(10,11)12/h1-3,14-15H,4,13H2.
What are the key properties of 2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine?
2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine has a molecular weight of 303.69 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine is sourced from PubChem (CID 114270033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).