4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide

C13H20BrNO2S — CID 65042475

IUPAC4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2S/c1-4-13(5-2,6-3)15-18(16,17)12-9-7-11(14)8-10-12/h7-10,15H,4-6H2,1-3H3
InChIKeyPDXABMTVBYPJCS-UHFFFAOYSA-N
MW334.28 g/mol
LogP3.70
Rot. Bonds6

About 4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide

4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide (PubChem CID 65042475) has the molecular formula C13H20BrNO2S and a molecular weight of 334.28 g/mol. Its IUPAC name is 4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
PubChem CID65042475
Molecular FormulaC13H20BrNO2S
Molecular Weight334.28 g/mol
Exact Mass333.04
IUPAC Name4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2S/c1-4-13(5-2,6-3)15-18(16,17)12-9-7-11(14)8-10-12/h7-10,15H,4-6H2,1-3H3
InChIKeyPDXABMTVBYPJCS-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]benzenesulfonamide
CID 107868413
N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide
CID 65042690
2-[(4-bromophenyl)sulfonylamino]-2-ethylbutanoic acid
CID 79806712
3-amino-4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 115329475
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluorobenzenesulfonamide
CID 114011015
N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
CID 65042766
4-chloro-N-[3-(chloromethyl)pentan-3-yl]benzenesulfonamide
CID 65032275
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 107868301
4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide
CID 61128073
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060233
4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide
CID 62521256

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide (CID 65042475) is 4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide is CCC(CC)(CC)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide?
The InChIKey is PDXABMTVBYPJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S/c1-4-13(5-2,6-3)15-18(16,17)12-9-7-11(14)8-10-12/h7-10,15H,4-6H2,1-3H3.
What are the key properties of 4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide?
4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide has a molecular weight of 334.28 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 65042475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).