4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide

C12H18Br2N2O3S — CID 62523961

IUPAC4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H18Br2N2O3S/c1-3-12(4-2,7-17)16-20(18,19)11-9(13)5-8(15)6-10(11)14/h5-6,16-17H,3-4,7,15H2,1-2H3
InChIKeyFERBLLQNBIINLT-UHFFFAOYSA-N
MW430.16 g/mol
LogP2.62
Rot. Bonds6

About 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide

4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide (PubChem CID 62523961) has the molecular formula C12H18Br2N2O3S and a molecular weight of 430.16 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
PubChem CID62523961
Molecular FormulaC12H18Br2N2O3S
Molecular Weight430.16 g/mol
Exact Mass427.94
IUPAC Name4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H18Br2N2O3S/c1-3-12(4-2,7-17)16-20(18,19)11-9(13)5-8(15)6-10(11)14/h5-6,16-17H,3-4,7,15H2,1-2H3
InChIKeyFERBLLQNBIINLT-UHFFFAOYSA-N
XLogP2.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.16
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide 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-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43256860
5-amino-4-bromo-2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 116530284
4-amino-2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62525141
4-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65039299
2-amino-5-bromo-4-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzenesulfonamide
CID 107864446
4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081162
3-bromo-4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]benzoic acid
CID 62518923
2-amino-4-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzenesulfonamide
CID 107864437
5-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65206847
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107864487
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-4,5-dimethylbenzenesulfonamide
CID 62522555
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358853

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide (CID 62523961) is 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide is CCC(CC)(CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide?
The InChIKey is FERBLLQNBIINLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O3S/c1-3-12(4-2,7-17)16-20(18,19)11-9(13)5-8(15)6-10(11)14/h5-6,16-17H,3-4,7,15H2,1-2H3.
What are the key properties of 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide?
4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide has a molecular weight of 430.16 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide is sourced from PubChem (CID 62523961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).