2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C9H10ClF3N2O2S — CID 60892302

IUPAC2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C9H10ClF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-3-2-6(10)4-7(8)14/h2-4H,5,14H2,1H3
InChIKeyMWOVSMKTDGHKKA-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.11
Rot. Bonds3

About 2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60892302) has the molecular formula C9H10ClF3N2O2S and a molecular weight of 302.71 g/mol. Its IUPAC name is 2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60892302
Molecular FormulaC9H10ClF3N2O2S
Molecular Weight302.71 g/mol
Exact Mass302.01
IUPAC Name2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C9H10ClF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-3-2-6(10)4-7(8)14/h2-4H,5,14H2,1H3
InChIKeyMWOVSMKTDGHKKA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60892302) is 2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is MWOVSMKTDGHKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-3-2-6(10)4-7(8)14/h2-4H,5,14H2,1H3.
What are the key properties of 2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-4-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 2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60892302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).