5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C9H10ClF3N2O2S — CID 60892304

IUPAC5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C9H10ClF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-4-6(14)2-3-7(8)10/h2-4H,5,14H2,1H3
InChIKeySFTRTZPJQYJWSK-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.11
Rot. Bonds3

About 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60892304) has the molecular formula C9H10ClF3N2O2S and a molecular weight of 302.71 g/mol. Its IUPAC name is 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60892304
Molecular FormulaC9H10ClF3N2O2S
Molecular Weight302.71 g/mol
Exact Mass302.01
IUPAC Name5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C9H10ClF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-4-6(14)2-3-7(8)10/h2-4H,5,14H2,1H3
InChIKeySFTRTZPJQYJWSK-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide 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

4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891916
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
methyl 3-[(5-amino-2-chlorophenyl)sulfonyl-methylamino]propanoate
CID 54997716
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide
CID 64853040
5-amino-3-fluoro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79896031
5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 61115628
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893071
5-amino-2-chlorobenzenesulfonyl fluoride
CID 54277891
5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61125255
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 29033224
N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115319032

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60892304) is 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is SFTRTZPJQYJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-4-6(14)2-3-7(8)10/h2-4H,5,14H2,1H3.
What are the key properties of 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 302.71 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60892304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).