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

C15H24BrNO3S — CID 3859301

IUPAC5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H24BrNO3S/c1-14(2,3)10-15(4,5)17-21(18,19)13-9-11(16)7-8-12(13)20-6/h7-9,17H,10H2,1-6H3
InChIKeyJGXBOLVPRMTUSZ-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.95
Rot. Bonds5

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

5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (PubChem CID 3859301) has the molecular formula C15H24BrNO3S and a molecular weight of 378.33 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
PubChem CID3859301
Molecular FormulaC15H24BrNO3S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H24BrNO3S/c1-14(2,3)10-15(4,5)17-21(18,19)13-9-11(16)7-8-12(13)20-6/h7-9,17H,10H2,1-6H3
InChIKeyJGXBOLVPRMTUSZ-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 63401977
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
CID 64557804
4-bromo-2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 116528229
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
5-bromo-N-(2-cyano-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 113372044
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993
5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113248092
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (CID 3859301) is 5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The InChIKey is JGXBOLVPRMTUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3S/c1-14(2,3)10-15(4,5)17-21(18,19)13-9-11(16)7-8-12(13)20-6/h7-9,17H,10H2,1-6H3.
What are the key properties of 5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide has a molecular weight of 378.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3859301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).