2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide

C14H23BrN2O2S — CID 63401977

IUPAC2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H23BrN2O2S/c1-13(2,3)9-14(4,5)17-20(18,19)12-8-10(15)6-7-11(12)16/h6-8,17H,9,16H2,1-5H3
InChIKeyMEXGXYPZLXMNLF-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.52
Rot. Bonds4

About 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide

2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (PubChem CID 63401977) has the molecular formula C14H23BrN2O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
PubChem CID63401977
Molecular FormulaC14H23BrN2O2S
Molecular Weight363.32 g/mol
Exact Mass362.07
IUPAC Name2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H23BrN2O2S/c1-13(2,3)9-14(4,5)17-20(18,19)12-8-10(15)6-7-11(12)16/h6-8,17H,9,16H2,1-5H3
InChIKeyMEXGXYPZLXMNLF-UHFFFAOYSA-N
XLogP3.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 54888928
5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 3859301
4-bromo-2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 116528229
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119975386
2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
CID 65342502
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
(2-amino-5-bromophenyl)sulfonylurea
CID 116646105
1-(2-amino-5-bromophenyl)sulfonyl-3-tert-butylurea
CID 116646538
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333410
2-amino-5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140176

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (CID 63401977) is 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is CC(C)(C)CC(C)(C)NS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The InChIKey is MEXGXYPZLXMNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S/c1-13(2,3)9-14(4,5)17-20(18,19)12-8-10(15)6-7-11(12)16/h6-8,17H,9,16H2,1-5H3.
What are the key properties of 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide has a molecular weight of 363.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63401977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).