3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide

C12H15N3O3S2 — CID 106434544

IUPAC3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide
SMILESNc1cc(NCC(O)c2ccsc2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H15N3O3S2/c13-9-3-10(5-11(4-9)20(14,17)18)15-6-12(16)8-1-2-19-7-8/h1-5,7,12,15-16H,6,13H2,(H2,14,17,18)
InChIKeyXIGJLNCHFBZBBY-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.12
Rot. Bonds5

About 3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide

3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide (PubChem CID 106434544) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide
PubChem CID106434544
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide
SMILESNc1cc(NCC(O)c2ccsc2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H15N3O3S2/c13-9-3-10(5-11(4-9)20(14,17)18)15-6-12(16)8-1-2-19-7-8/h1-5,7,12,15-16H,6,13H2,(H2,14,17,18)
InChIKeyXIGJLNCHFBZBBY-UHFFFAOYSA-N
XLogP1.12
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 55122010
2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
CID 102846389
3-amino-5-(2-hydroxybutylamino)benzenesulfonamide
CID 113491915
3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 106434424
N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide
CID 167820242
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one
CID 106436529
2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 114188661
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
5-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbenzenesulfonamide
CID 106434445
2-(3-amino-5-sulfamoylanilino)ethylurea
CID 83115831
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide (CID 106434544) is 3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide is Nc1cc(NCC(O)c2ccsc2)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide?
The InChIKey is XIGJLNCHFBZBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c13-9-3-10(5-11(4-9)20(14,17)18)15-6-12(16)8-1-2-19-7-8/h1-5,7,12,15-16H,6,13H2,(H2,14,17,18).
What are the key properties of 3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide?
3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide is sourced from PubChem (CID 106434544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).