4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide

C12H21N3O3S — CID 107843856

IUPAC4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCCCCCCO
InChIInChI=1S/C12H21N3O3S/c13-11-6-5-10(19(14,17)18)9-12(11)15-7-3-1-2-4-8-16/h5-6,9,15-16H,1-4,7-8,13H2,(H2,14,17,18)
InChIKeyVWWMBZLSYORZDM-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.88
Rot. Bonds8

About 4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide

4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide (PubChem CID 107843856) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
PubChem CID107843856
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCCCCCCO
InChIInChI=1S/C12H21N3O3S/c13-11-6-5-10(19(14,17)18)9-12(11)15-7-3-1-2-4-8-16/h5-6,9,15-16H,1-4,7-8,13H2,(H2,14,17,18)
InChIKeyVWWMBZLSYORZDM-UHFFFAOYSA-N
XLogP0.88
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.88
H-Bond Donors ≤ 54
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

3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
CID 82907605
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
4-(2-amino-5-fluoroanilino)butan-1-ol
CID 58656023
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 82907842
3-[2-(2-amino-5-sulfamoylanilino)ethyl]-1,1-dimethylurea
CID 83116616
4-amino-3-(2-butoxyethylamino)benzenesulfonamide
CID 82908082
tert-butyl N-[2-(2-amino-5-sulfamoylanilino)ethyl]carbamate
CID 104932877
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide (CID 107843856) is 4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1NCCCCCCO.
What is the InChIKey of 4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide?
The InChIKey is VWWMBZLSYORZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c13-11-6-5-10(19(14,17)18)9-12(11)15-7-3-1-2-4-8-16/h5-6,9,15-16H,1-4,7-8,13H2,(H2,14,17,18).
What are the key properties of 4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide?
4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.88, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide is sourced from PubChem (CID 107843856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).