3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide

C10H12BrF3N2O2S — CID 65491204

IUPAC3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H12BrF3N2O2S/c11-8-4-7(10(12,13)14)5-9(6-8)16-19(17,18)3-1-2-15/h4-6,16H,1-3,15H2
InChIKeyVWFBIRIGPYWWOO-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.56
Rot. Bonds5

About 3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide

3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide (PubChem CID 65491204) has the molecular formula C10H12BrF3N2O2S and a molecular weight of 361.18 g/mol. Its IUPAC name is 3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
PubChem CID65491204
Molecular FormulaC10H12BrF3N2O2S
Molecular Weight361.18 g/mol
Exact Mass359.98
IUPAC Name3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H12BrF3N2O2S/c11-8-4-7(10(12,13)14)5-9(6-8)16-19(17,18)3-1-2-15/h4-6,16H,1-3,15H2
InChIKeyVWFBIRIGPYWWOO-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 65491007
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanesulfonamide
CID 106066843
4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide
CID 65491997
3-bromo-N-(2-ethylsulfonylethyl)-5-(trifluoromethyl)aniline
CID 65491817
N-(3-aminopropyl)-3-bromo-5-(trifluoromethyl)benzenesulfonamide
CID 119962038
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65484346
2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911070
1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 115453437
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106083157
(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171226710
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 107652535

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide (CID 65491204) is 3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide is NCCCS(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The InChIKey is VWFBIRIGPYWWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2O2S/c11-8-4-7(10(12,13)14)5-9(6-8)16-19(17,18)3-1-2-15/h4-6,16H,1-3,15H2.
What are the key properties of 3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide?
3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide has a molecular weight of 361.18 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 65491204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).