2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

C10H14Br2N2O3S — CID 43498629

IUPAC2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O3S/c1-10(2,5-15)14-18(16,17)9-7(12)3-6(11)4-8(9)13/h3-4,14-15H,5,13H2,1-2H3
InChIKeyQKPOPGAUZJVMFY-UHFFFAOYSA-N
MW402.11 g/mol
LogP1.84
Rot. Bonds4

About 2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 43498629) has the molecular formula C10H14Br2N2O3S and a molecular weight of 402.11 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID43498629
Molecular FormulaC10H14Br2N2O3S
Molecular Weight402.11 g/mol
Exact Mass399.91
IUPAC Name2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O3S/c1-10(2,5-15)14-18(16,17)9-7(12)3-6(11)4-8(9)13/h3-4,14-15H,5,13H2,1-2H3
InChIKeyQKPOPGAUZJVMFY-UHFFFAOYSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.11
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide
CID 106095490
4-amino-2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54889018
2-amino-4,6-dibromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93081298
2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
CID 43310321
4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43256860
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
5-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498653
2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61125249
2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43501855
1-(2-amino-4,6-dibromophenyl)sulfonyl-3-butylurea
CID 116645739

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 43498629) is 2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is QKPOPGAUZJVMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O3S/c1-10(2,5-15)14-18(16,17)9-7(12)3-6(11)4-8(9)13/h3-4,14-15H,5,13H2,1-2H3.
What are the key properties of 2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 402.11 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43498629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).