4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide

C16H20N2O3S — CID 11702508

IUPAC4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
SMILESNc1ccccc1-c1ccc(S(=O)(=O)NCCCCO)cc1
InChIInChI=1S/C16H20N2O3S/c17-16-6-2-1-5-15(16)13-7-9-14(10-8-13)22(20,21)18-11-3-4-12-19/h1-2,5-10,18-19H,3-4,11-12,17H2
InChIKeyKWCSJBZYPXVJSV-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.99
Rot. Bonds7

About 4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide

4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide (PubChem CID 11702508) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
PubChem CID11702508
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
SMILESNc1ccccc1-c1ccc(S(=O)(=O)NCCCCO)cc1
InChIInChI=1S/C16H20N2O3S/c17-16-6-2-1-5-15(16)13-7-9-14(10-8-13)22(20,21)18-11-3-4-12-19/h1-2,5-10,18-19H,3-4,11-12,17H2
InChIKeyKWCSJBZYPXVJSV-UHFFFAOYSA-N
XLogP1.99
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide (CID 11702508) is 4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide is Nc1ccccc1-c1ccc(S(=O)(=O)NCCCCO)cc1.
What is the InChIKey of 4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
The InChIKey is KWCSJBZYPXVJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c17-16-6-2-1-5-15(16)13-7-9-14(10-8-13)22(20,21)18-11-3-4-12-19/h1-2,5-10,18-19H,3-4,11-12,17H2.
What are the key properties of 4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 11702508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).