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

C9H10ClF3N2O2S — CID 60891916

IUPAC4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C9H10ClF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-3-2-6(14)4-7(8)10/h2-4H,5,14H2,1H3
InChIKeyKEWQQLIQVPXGRQ-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.11
Rot. Bonds3

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

4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60891916) has the molecular formula C9H10ClF3N2O2S and a molecular weight of 302.71 g/mol. Its IUPAC name is 4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60891916
Molecular FormulaC9H10ClF3N2O2S
Molecular Weight302.71 g/mol
Exact Mass302.01
IUPAC Name4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C9H10ClF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-3-2-6(14)4-7(8)10/h2-4H,5,14H2,1H3
InChIKeyKEWQQLIQVPXGRQ-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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Related Compounds

5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
4-(3-aminoprop-1-ynyl)-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891421
4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62985193
4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43527986
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide
CID 64853040
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
3-chloro-4-[(2,2-difluoro-3-hydroxypropyl)-methylsulfamoyl]benzoic acid
CID 166260227
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269143

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60891916) is 4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is KEWQQLIQVPXGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-3-2-6(14)4-7(8)10/h2-4H,5,14H2,1H3.
What are the key properties of 4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-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 4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60891916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).