5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide

C11H18N2O4S — CID 64928024

IUPAC5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCC(C)O
InChIInChI=1S/C11H18N2O4S/c1-8(14)5-6-13-18(15,16)11-7-9(12)3-4-10(11)17-2/h3-4,7-8,13-14H,5-6,12H2,1-2H3
InChIKeyMXBOSMQQUZNODT-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.33
Rot. Bonds6

About 5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide

5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide (PubChem CID 64928024) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
PubChem CID64928024
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCC(C)O
InChIInChI=1S/C11H18N2O4S/c1-8(14)5-6-13-18(15,16)11-7-9(12)3-4-10(11)17-2/h3-4,7-8,13-14H,5-6,12H2,1-2H3
InChIKeyMXBOSMQQUZNODT-UHFFFAOYSA-N
XLogP0.33
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989
4-(3-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 102695016
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide (CID 64928024) is 5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCCC(C)O.
What is the InChIKey of 5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide?
The InChIKey is MXBOSMQQUZNODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8(14)5-6-13-18(15,16)11-7-9(12)3-4-10(11)17-2/h3-4,7-8,13-14H,5-6,12H2,1-2H3.
What are the key properties of 5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide?
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 64928024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).