2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C14H11Cl2F3N2O2S — CID 15227572

IUPAC2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11Cl2F3N2O2S/c15-10-5-11(16)13(12(20)6-10)24(22,23)21-7-8-1-3-9(4-2-8)14(17,18)19/h1-6,21H,7,20H2
InChIKeyRZXSQDUUJLYOPO-UHFFFAOYSA-N
MW399.22 g/mol
LogP4.07
Rot. Bonds4

About 2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 15227572) has the molecular formula C14H11Cl2F3N2O2S and a molecular weight of 399.22 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID15227572
Molecular FormulaC14H11Cl2F3N2O2S
Molecular Weight399.22 g/mol
Exact Mass397.99
IUPAC Name2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11Cl2F3N2O2S/c15-10-5-11(16)13(12(20)6-10)24(22,23)21-7-8-1-3-9(4-2-8)14(17,18)19/h1-6,21H,7,20H2
InChIKeyRZXSQDUUJLYOPO-UHFFFAOYSA-N
XLogP4.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 54.07
H-Bond Donors ≤ 52
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-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 15227572) is 2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RZXSQDUUJLYOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O2S/c15-10-5-11(16)13(12(20)6-10)24(22,23)21-7-8-1-3-9(4-2-8)14(17,18)19/h1-6,21H,7,20H2.
What are the key properties of 2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 399.22 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 15227572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).