1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide

C10H14BrFN2O2S — CID 106087794

IUPAC1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)C(C)CN
InChIInChI=1S/C10H14BrFN2O2S/c1-6-3-9(12)8(11)4-10(6)14-17(15,16)7(2)5-13/h3-4,7,14H,5,13H2,1-2H3
InChIKeyBPAIJVDAWDZXFJ-UHFFFAOYSA-N
MW325.20 g/mol
LogP1.99
Rot. Bonds4

About 1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide

1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide (PubChem CID 106087794) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide
PubChem CID106087794
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC Name1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)C(C)CN
InChIInChI=1S/C10H14BrFN2O2S/c1-6-3-9(12)8(11)4-10(6)14-17(15,16)7(2)5-13/h3-4,7,14H,5,13H2,1-2H3
InChIKeyBPAIJVDAWDZXFJ-UHFFFAOYSA-N
XLogP1.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
CID 107591558
1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003304
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659
1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 106090013
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
CID 106089270
(5-bromo-4-fluoro-2-methylphenyl)hydrazine;ethane
CID 156888399
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline
CID 107592648

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide (CID 106087794) is 1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide is Cc1cc(F)c(Br)cc1NS(=O)(=O)C(C)CN.
What is the InChIKey of 1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide?
The InChIKey is BPAIJVDAWDZXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-6-3-9(12)8(11)4-10(6)14-17(15,16)7(2)5-13/h3-4,7,14H,5,13H2,1-2H3.
What are the key properties of 1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide?
1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide has a molecular weight of 325.20 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 106087794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).