6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine

C12H10BrF3N2O2S — CID 114808909

IUPAC6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine
SMILESO=S(=O)(NCC(F)(F)F)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H10BrF3N2O2S/c13-10-3-1-9-6-11(4-2-8(9)5-10)18-21(19,20)17-7-12(14,15)16/h1-6,17-18H,7H2
InChIKeyBSUICBIRXMAMRU-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.41
Rot. Bonds4

About 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine

6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine (PubChem CID 114808909) has the molecular formula C12H10BrF3N2O2S and a molecular weight of 383.19 g/mol. Its IUPAC name is 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine
PubChem CID114808909
Molecular FormulaC12H10BrF3N2O2S
Molecular Weight383.19 g/mol
Exact Mass381.96
IUPAC Name6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine
SMILESO=S(=O)(NCC(F)(F)F)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H10BrF3N2O2S/c13-10-3-1-9-6-11(4-2-8(9)5-10)18-21(19,20)17-7-12(14,15)16/h1-6,17-18H,7H2
InChIKeyBSUICBIRXMAMRU-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114808728
4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 107575153
1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115701817
N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521261
3-[2-fluoro-5-(2,2,2-trifluoroethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812028
1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone
CID 114808702
4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114803608
2-[4-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanethioamide
CID 114808277
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
5-bromo-3-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804603
3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 81411268
N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106073055

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine (CID 114808909) is 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine is O=S(=O)(NCC(F)(F)F)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine?
The InChIKey is BSUICBIRXMAMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O2S/c13-10-3-1-9-6-11(4-2-8(9)5-10)18-21(19,20)17-7-12(14,15)16/h1-6,17-18H,7H2.
What are the key properties of 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine?
6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine has a molecular weight of 383.19 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine is sourced from PubChem (CID 114808909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).