3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide

C13H20BrNO4S — CID 103918422

IUPAC3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCCCO)cc1Br
InChIInChI=1S/C13H20BrNO4S/c1-19-13-7-6-11(10-12(13)14)20(17,18)15-8-4-2-3-5-9-16/h6-7,10,15-16H,2-5,8-9H2,1H3
InChIKeyNXLJDBVFKGJCTG-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.29
Rot. Bonds9

About 3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide

3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide (PubChem CID 103918422) has the molecular formula C13H20BrNO4S and a molecular weight of 366.28 g/mol. Its IUPAC name is 3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
PubChem CID103918422
Molecular FormulaC13H20BrNO4S
Molecular Weight366.28 g/mol
Exact Mass365.03
IUPAC Name3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCCCO)cc1Br
InChIInChI=1S/C13H20BrNO4S/c1-19-13-7-6-11(10-12(13)14)20(17,18)15-8-4-2-3-5-9-16/h6-7,10,15-16H,2-5,8-9H2,1H3
InChIKeyNXLJDBVFKGJCTG-UHFFFAOYSA-N
XLogP2.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 107843502
5-(4-hydroxybutylsulfamoyl)-2-methoxybenzoic acid
CID 106840452
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 31391788
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
2-bromo-5-(6-hydroxyhexylsulfamoyl)benzoic acid
CID 107847689
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
3-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698727
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 104858845
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide (CID 103918422) is 3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCCCCO)cc1Br.
What is the InChIKey of 3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide?
The InChIKey is NXLJDBVFKGJCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO4S/c1-19-13-7-6-11(10-12(13)14)20(17,18)15-8-4-2-3-5-9-16/h6-7,10,15-16H,2-5,8-9H2,1H3.
What are the key properties of 3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide?
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide has a molecular weight of 366.28 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 103918422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).