4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide

C12H19BrN2O3S — CID 106347954

IUPAC4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C12H19BrN2O3S/c1-8(2)11(5-6-16)15-19(17,18)12-4-3-9(14)7-10(12)13/h3-4,7-8,11,15-16H,5-6,14H2,1-2H3
InChIKeyBSXSBMSBFGJQOG-UHFFFAOYSA-N
MW351.27 g/mol
LogP1.72
Rot. Bonds6

About 4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide

4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106347954) has the molecular formula C12H19BrN2O3S and a molecular weight of 351.27 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
PubChem CID106347954
Molecular FormulaC12H19BrN2O3S
Molecular Weight351.27 g/mol
Exact Mass350.03
IUPAC Name4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C12H19BrN2O3S/c1-8(2)11(5-6-16)15-19(17,18)12-4-3-9(14)7-10(12)13/h3-4,7-8,11,15-16H,5-6,14H2,1-2H3
InChIKeyBSXSBMSBFGJQOG-UHFFFAOYSA-N
XLogP1.72
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 51.72
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-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzoic acid
CID 106348020
4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 113484662
5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247723
4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 113457653
5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide
CID 106348013
3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide
CID 106347953
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzenesulfonamide
CID 79248112
4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036761
4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
CID 83177341
2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 71911251
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide (CID 106347954) is 4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide is CC(C)C(CCO)NS(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is BSXSBMSBFGJQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S/c1-8(2)11(5-6-16)15-19(17,18)12-4-3-9(14)7-10(12)13/h3-4,7-8,11,15-16H,5-6,14H2,1-2H3.
What are the key properties of 4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 351.27 g/mol, XLogP of 1.72, 6 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-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106347954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).