3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide

C12H15N3O2S2 — CID 55122010

IUPAC3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
SMILESCC(Nc1cc(N)cc(S(N)(=O)=O)c1)c1ccsc1
InChIInChI=1S/C12H15N3O2S2/c1-8(9-2-3-18-7-9)15-11-4-10(13)5-12(6-11)19(14,16)17/h2-8,15H,13H2,1H3,(H2,14,16,17)
InChIKeyBQNOOZGXZHDOIE-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.15
Rot. Bonds4

About 3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide

3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide (PubChem CID 55122010) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
PubChem CID55122010
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
SMILESCC(Nc1cc(N)cc(S(N)(=O)=O)c1)c1ccsc1
InChIInChI=1S/C12H15N3O2S2/c1-8(9-2-3-18-7-9)15-11-4-10(13)5-12(6-11)19(14,16)17/h2-8,15H,13H2,1H3,(H2,14,16,17)
InChIKeyBQNOOZGXZHDOIE-UHFFFAOYSA-N
XLogP2.15
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide
CID 106434544
3-amino-5-(propan-2-ylamino)benzenesulfonamide
CID 60987493
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
CID 106217125
3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 54887840
3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide
CID 60986935
2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 80645874
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
CID 61469316
3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide
CID 63011085
3,5-dichloro-4-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 107572860
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide (CID 55122010) is 3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide is CC(Nc1cc(N)cc(S(N)(=O)=O)c1)c1ccsc1.
What is the InChIKey of 3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide?
The InChIKey is BQNOOZGXZHDOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-8(9-2-3-18-7-9)15-11-4-10(13)5-12(6-11)19(14,16)17/h2-8,15H,13H2,1H3,(H2,14,16,17).
What are the key properties of 3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide?
3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 55122010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).