5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide

C11H16BrNO4S — CID 113318211

IUPAC5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(C)CCO
InChIInChI=1S/C11H16BrNO4S/c1-8(5-6-14)13-18(15,16)11-7-9(12)3-4-10(11)17-2/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyZVAZAUPQBCEBDB-UHFFFAOYSA-N
MW338.22 g/mol
LogP1.51
Rot. Bonds6

About 5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide

5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 113318211) has the molecular formula C11H16BrNO4S and a molecular weight of 338.22 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
PubChem CID113318211
Molecular FormulaC11H16BrNO4S
Molecular Weight338.22 g/mol
Exact Mass337.00
IUPAC Name5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(C)CCO
InChIInChI=1S/C11H16BrNO4S/c1-8(5-6-14)13-18(15,16)11-7-9(12)3-4-10(11)17-2/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyZVAZAUPQBCEBDB-UHFFFAOYSA-N
XLogP1.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide
CID 66107574
5-bromo-2-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61228326
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 115477790
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 78907344
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide (CID 113318211) is 5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC(C)CCO.
What is the InChIKey of 5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is ZVAZAUPQBCEBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S/c1-8(5-6-14)13-18(15,16)11-7-9(12)3-4-10(11)17-2/h3-4,7-8,13-14H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide?
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 338.22 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 113318211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).