4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide

C11H18N2O4S — CID 106840223

IUPAC4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCCCCO
InChIInChI=1S/C11H18N2O4S/c1-17-10-8-9(12)4-5-11(10)18(15,16)13-6-2-3-7-14/h4-5,8,13-14H,2-3,6-7,12H2,1H3
InChIKeyKQROOPVTQAFHFI-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.33
Rot. Bonds7

About 4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide

4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide (PubChem CID 106840223) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
PubChem CID106840223
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCCCCO
InChIInChI=1S/C11H18N2O4S/c1-17-10-8-9(12)4-5-11(10)18(15,16)13-6-2-3-7-14/h4-5,8,13-14H,2-3,6-7,12H2,1H3
InChIKeyKQROOPVTQAFHFI-UHFFFAOYSA-N
XLogP0.33
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 106840483
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 43310749
N-(5-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 107319404
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide
CID 43566769

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide (CID 106840223) is 4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCCCCO.
What is the InChIKey of 4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide?
The InChIKey is KQROOPVTQAFHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-17-10-8-9(12)4-5-11(10)18(15,16)13-6-2-3-7-14/h4-5,8,13-14H,2-3,6-7,12H2,1H3.
What are the key properties of 4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide?
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106840223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).