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

C9H9Cl2F3N2O2S — CID 60891724

IUPAC4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H9Cl2F3N2O2S/c1-16(4-9(12,13)14)19(17,18)8-6(10)2-5(15)3-7(8)11/h2-3H,4,15H2,1H3
InChIKeyQAKKTDGMQMHHJR-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.76
Rot. Bonds3

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

4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60891724) has the molecular formula C9H9Cl2F3N2O2S and a molecular weight of 337.15 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60891724
Molecular FormulaC9H9Cl2F3N2O2S
Molecular Weight337.15 g/mol
Exact Mass335.97
IUPAC Name4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H9Cl2F3N2O2S/c1-16(4-9(12,13)14)19(17,18)8-6(10)2-5(15)3-7(8)11/h2-3H,4,15H2,1H3
InChIKeyQAKKTDGMQMHHJR-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60891724) is 4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is QAKKTDGMQMHHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F3N2O2S/c1-16(4-9(12,13)14)19(17,18)8-6(10)2-5(15)3-7(8)11/h2-3H,4,15H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-amino-2,6-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 4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60891724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).