4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide

C10H15BrN2O3S — CID 65036761

IUPAC4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C10H15BrN2O3S/c1-7(6-14)5-13-17(15,16)10-3-2-8(12)4-9(10)11/h2-4,7,13-14H,5-6,12H2,1H3
InChIKeyPXDSBUAEDDRSQG-UHFFFAOYSA-N
MW323.21 g/mol
LogP0.94
Rot. Bonds5

About 4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide

4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 65036761) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID65036761
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C10H15BrN2O3S/c1-7(6-14)5-13-17(15,16)10-3-2-8(12)4-9(10)11/h2-4,7,13-14H,5-6,12H2,1H3
InChIKeyPXDSBUAEDDRSQG-UHFFFAOYSA-N
XLogP0.94
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 50.94
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

4-amino-2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248195
4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 113484662
4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036872
4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 116527730
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
2-[(4-amino-2-bromophenyl)sulfonylamino]acetamide
CID 43255728
4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 106347954
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 113457653
4-amino-2-bromo-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479659
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899208
4-amino-2-bromo-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
CID 106289563

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide (CID 65036761) is 4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide is CC(CO)CNS(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is PXDSBUAEDDRSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-7(6-14)5-13-17(15,16)10-3-2-8(12)4-9(10)11/h2-4,7,13-14H,5-6,12H2,1H3.
What are the key properties of 4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 323.21 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 65036761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).