4-(3-aminopropylamino)benzenesulfonamide

C9H15N3O2S — CID 43453740

IUPAC4-(3-aminopropylamino)benzenesulfonamide
SMILESNCCCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H15N3O2S/c10-6-1-7-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,12H,1,6-7,10H2,(H2,11,13,14)
InChIKeyPLWYIBRLSAFXAP-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.09
Rot. Bonds5

About 4-(3-aminopropylamino)benzenesulfonamide

4-(3-aminopropylamino)benzenesulfonamide (PubChem CID 43453740) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-(3-aminopropylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropylamino)benzenesulfonamide
PubChem CID43453740
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name4-(3-aminopropylamino)benzenesulfonamide
SMILESNCCCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H15N3O2S/c10-6-1-7-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,12H,1,6-7,10H2,(H2,11,13,14)
InChIKeyPLWYIBRLSAFXAP-UHFFFAOYSA-N
XLogP0.09
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
CID 43599575
4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide
CID 106306869
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537
4-[2-(2-aminoethylamino)ethylamino]benzenesulfonic acid
CID 22146793
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635
4-(3-aminopentylamino)benzenesulfonamide
CID 113498131
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide
CID 160651782

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylamino)benzenesulfonamide?
The IUPAC name of 4-(3-aminopropylamino)benzenesulfonamide (CID 43453740) is 4-(3-aminopropylamino)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropylamino)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropylamino)benzenesulfonamide is NCCCNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(3-aminopropylamino)benzenesulfonamide?
The InChIKey is PLWYIBRLSAFXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-6-1-7-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,12H,1,6-7,10H2,(H2,11,13,14).
What are the key properties of 4-(3-aminopropylamino)benzenesulfonamide?
4-(3-aminopropylamino)benzenesulfonamide has a molecular weight of 229.31 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylamino)benzenesulfonamide is sourced from PubChem (CID 43453740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).