4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide

C14H12BrF3N2O2S — CID 133329103

IUPAC4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cccc(Br)c2)cc1C(F)(F)F
InChIInChI=1S/C14H12BrF3N2O2S/c15-10-3-1-2-9(6-10)8-20-11-4-5-13(23(19,21)22)12(7-11)14(16,17)18/h1-7,20H,8H2,(H2,19,21,22)
InChIKeyUAWLMEWOOOTKFZ-UHFFFAOYSA-N
MW409.23 g/mol
LogP3.73
Rot. Bonds4

About 4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide

4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133329103) has the molecular formula C14H12BrF3N2O2S and a molecular weight of 409.23 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133329103
Molecular FormulaC14H12BrF3N2O2S
Molecular Weight409.23 g/mol
Exact Mass407.98
IUPAC Name4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cccc(Br)c2)cc1C(F)(F)F
InChIInChI=1S/C14H12BrF3N2O2S/c15-10-3-1-2-9(6-10)8-20-11-4-5-13(23(19,21)22)12(7-11)14(16,17)18/h1-7,20H,8H2,(H2,19,21,22)
InChIKeyUAWLMEWOOOTKFZ-UHFFFAOYSA-N
XLogP3.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide (CID 133329103) is 4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2cccc(Br)c2)cc1C(F)(F)F.
What is the InChIKey of 4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UAWLMEWOOOTKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O2S/c15-10-3-1-2-9(6-10)8-20-11-4-5-13(23(19,21)22)12(7-11)14(16,17)18/h1-7,20H,8H2,(H2,19,21,22).
What are the key properties of 4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide?
4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 409.23 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methylamino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133329103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).