5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide

C12H18BrNO3S — CID 92510421

IUPAC5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
SMILESCCC[C@H](C)NS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H18BrNO3S/c1-4-5-9(2)14-18(15,16)12-8-10(13)6-7-11(12)17-3/h6-9,14H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyBUXFIERRPYKHFR-VIFPVBQESA-N
MW336.25 g/mol
LogP2.92
Rot. Bonds6

About 5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide

5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide (PubChem CID 92510421) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
PubChem CID92510421
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
SMILESCCC[C@H](C)NS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H18BrNO3S/c1-4-5-9(2)14-18(15,16)12-8-10(13)6-7-11(12)17-3/h6-9,14H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyBUXFIERRPYKHFR-VIFPVBQESA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-methoxy-N-[(2S)-pentan-2-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

5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
5-bromo-2-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61228326
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133199241
5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 8817696

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide (CID 92510421) is 5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide is CCC[C@H](C)NS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide?
The InChIKey is BUXFIERRPYKHFR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-4-5-9(2)14-18(15,16)12-8-10(13)6-7-11(12)17-3/h6-9,14H,4-5H2,1-3H3/t9-/m0/s1.
What are the key properties of 5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide?
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide has a molecular weight of 336.25 g/mol, XLogP of 2.92, 6 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-[(2S)-pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 92510421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).