3-amino-4-hydroxy-N-pentylbenzenesulfonamide

C11H18N2O3S — CID 29051411

IUPAC3-amino-4-hydroxy-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-2-3-4-7-13-17(15,16)9-5-6-11(14)10(12)8-9/h5-6,8,13-14H,2-4,7,12H2,1H3
InChIKeyLSKBYSDCPUCCAY-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.44
Rot. Bonds6

About 3-amino-4-hydroxy-N-pentylbenzenesulfonamide

3-amino-4-hydroxy-N-pentylbenzenesulfonamide (PubChem CID 29051411) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-pentylbenzenesulfonamide
PubChem CID29051411
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-amino-4-hydroxy-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-2-3-4-7-13-17(15,16)9-5-6-11(14)10(12)8-9/h5-6,8,13-14H,2-4,7,12H2,1H3
InChIKeyLSKBYSDCPUCCAY-UHFFFAOYSA-N
XLogP1.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.44
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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-amino-4-hydroxy-N-pentylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
4-amino-3-chloro-N-pentylbenzenesulfonamide
CID 115329349
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 53405187
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
N-dodecyl-6-hydroxynaphthalene-2-sulfonamide
CID 71346351
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-pentylbenzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-pentylbenzenesulfonamide (CID 29051411) is 3-amino-4-hydroxy-N-pentylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-pentylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-4-hydroxy-N-pentylbenzenesulfonamide?
The InChIKey is LSKBYSDCPUCCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-3-4-7-13-17(15,16)9-5-6-11(14)10(12)8-9/h5-6,8,13-14H,2-4,7,12H2,1H3.
What are the key properties of 3-amino-4-hydroxy-N-pentylbenzenesulfonamide?
3-amino-4-hydroxy-N-pentylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-pentylbenzenesulfonamide is sourced from PubChem (CID 29051411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).