2-amino-4-(2-hydroxyethylamino)benzenesulfonamide

C8H13N3O3S — CID 79467584

IUPAC2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
SMILESNc1cc(NCCO)ccc1S(N)(=O)=O
InChIInChI=1S/C8H13N3O3S/c9-7-5-6(11-3-4-12)1-2-8(7)15(10,13)14/h1-2,5,11-12H,3-4,9H2,(H2,10,13,14)
InChIKeyIRZLTROTCOZMFH-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.68
Rot. Bonds4

About 2-amino-4-(2-hydroxyethylamino)benzenesulfonamide

2-amino-4-(2-hydroxyethylamino)benzenesulfonamide (PubChem CID 79467584) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-amino-4-(2-hydroxyethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
PubChem CID79467584
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
SMILESNc1cc(NCCO)ccc1S(N)(=O)=O
InChIInChI=1S/C8H13N3O3S/c9-7-5-6(11-3-4-12)1-2-8(7)15(10,13)14/h1-2,5,11-12H,3-4,9H2,(H2,10,13,14)
InChIKeyIRZLTROTCOZMFH-UHFFFAOYSA-N
XLogP-0.68
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonamide
CID 79467002
2-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231585
2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide
CID 106234450
2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
CID 79467510
2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide
CID 114465302
2-amino-4-(2-phenoxyethylamino)benzenesulfonamide
CID 79466327
2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 79466680
2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide
CID 79466378
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-hydroxyethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2-hydroxyethylamino)benzenesulfonamide (CID 79467584) is 2-amino-4-(2-hydroxyethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2-hydroxyethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2-hydroxyethylamino)benzenesulfonamide is Nc1cc(NCCO)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(2-hydroxyethylamino)benzenesulfonamide?
The InChIKey is IRZLTROTCOZMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c9-7-5-6(11-3-4-12)1-2-8(7)15(10,13)14/h1-2,5,11-12H,3-4,9H2,(H2,10,13,14).
What are the key properties of 2-amino-4-(2-hydroxyethylamino)benzenesulfonamide?
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-hydroxyethylamino)benzenesulfonamide is sourced from PubChem (CID 79467584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).