2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C9H9Cl2F3N2O2S — CID 60891162

IUPAC2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2F3N2O2S/c1-16(4-9(12,13)14)19(17,18)8-6(11)2-5(10)3-7(8)15/h2-3H,4,15H2,1H3
InChIKeyDHZNSVHWYLVPCW-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.76
Rot. Bonds3

About 2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60891162) has the molecular formula C9H9Cl2F3N2O2S and a molecular weight of 337.15 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60891162
Molecular FormulaC9H9Cl2F3N2O2S
Molecular Weight337.15 g/mol
Exact Mass335.97
IUPAC Name2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2F3N2O2S/c1-16(4-9(12,13)14)19(17,18)8-6(11)2-5(10)3-7(8)15/h2-3H,4,15H2,1H3
InChIKeyDHZNSVHWYLVPCW-UHFFFAOYSA-N
XLogP2.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 52.76
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

4-amino-6-chloro-N~1~,N~1~,N~3~,N~3~-tetramethyl-1,3-benzenedisulfonamide
CID 868627
2-Amino-4,6-dichlorobenzene-1-sulfonamide
CID 3021430
2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 15227572
2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 43256022
2-amino-4,6-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 43256058
2-amino-4,6-dichloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43256678
2-amino-4,6-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 54040422
2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 28550880
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29041086
2-amino-4-chloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 29045303
2-amino-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29295440

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60891162) is 2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is DHZNSVHWYLVPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F3N2O2S/c1-16(4-9(12,13)14)19(17,18)8-6(11)2-5(10)3-7(8)15/h2-3H,4,15H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 337.15 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60891162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).