1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide

C9H12Br2N2O2S — CID 106003304

IUPAC1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C9H12Br2N2O2S/c1-6(5-12)16(14,15)13-9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3
InChIKeyWCPDGEUHIIQFNE-UHFFFAOYSA-N
MW372.08 g/mol
LogP2.30
Rot. Bonds4

About 1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide

1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide (PubChem CID 106003304) has the molecular formula C9H12Br2N2O2S and a molecular weight of 372.08 g/mol. Its IUPAC name is 1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
PubChem CID106003304
Molecular FormulaC9H12Br2N2O2S
Molecular Weight372.08 g/mol
Exact Mass369.90
IUPAC Name1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C9H12Br2N2O2S/c1-6(5-12)16(14,15)13-9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3
InChIKeyWCPDGEUHIIQFNE-UHFFFAOYSA-N
XLogP2.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.08
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide
CID 106087794
2-N-(2,4-dibromophenyl)propane-1,2-diamine
CID 103388120
1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
CID 106089270
1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide
CID 106070903
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 106003329
4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide
CID 22773581
N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 114141749
N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073470
N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114140099
3-N-(2,4-dibromophenyl)butane-2,3-diamine
CID 126982948

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide (CID 106003304) is 1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide is CC(CN)S(=O)(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide?
The InChIKey is WCPDGEUHIIQFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2O2S/c1-6(5-12)16(14,15)13-9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3.
What are the key properties of 1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide?
1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide has a molecular weight of 372.08 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide is sourced from PubChem (CID 106003304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).