N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide

C12H18BrNO2S — CID 106170023

IUPACN-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18BrNO2S/c1-3-12(2,9-10-13)14-17(15,16)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3
InChIKeySRFSKGPUIWARTA-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.92
Rot. Bonds6

About N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide

N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106170023) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106170023
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18BrNO2S/c1-3-12(2,9-10-13)14-17(15,16)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3
InChIKeySRFSKGPUIWARTA-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-bromo-3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106169959
3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
CID 114293798
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
N-(1-bromo-3-methylpentan-3-yl)isoquinoline-5-sulfonamide
CID 106169935
N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314590
N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 114152612
N-(1-bromo-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 114293806
4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330291
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 106170160
2-(benzenesulfonamido)-2-methylbutanethioamide
CID 61124279
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide (CID 106170023) is N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CCBr)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is SRFSKGPUIWARTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-3-12(2,9-10-13)14-17(15,16)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3.
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide?
N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 320.25 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106170023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).