1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine

C23H24N4O4S2 — CID 87624232

IUPAC1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine
SMILESNCCC(N)(S(=O)(=O)c1ccc(N)c2ccccc12)S(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C23H24N4O4S2/c24-14-13-23(27,32(28,29)21-11-9-19(25)15-5-1-3-7-17(15)21)33(30,31)22-12-10-20(26)16-6-2-4-8-18(16)22/h1-12H,13-14,24-27H2
InChIKeySCHOAMMIWQWOGH-UHFFFAOYSA-N
MW484.60 g/mol
LogP2.37
Rot. Bonds6

About 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine

1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine (PubChem CID 87624232) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine.

Molecular Properties

Compound Name1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine
PubChem CID87624232
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC Name1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine
SMILESNCCC(N)(S(=O)(=O)c1ccc(N)c2ccccc12)S(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C23H24N4O4S2/c24-14-13-23(27,32(28,29)21-11-9-19(25)15-5-1-3-7-17(15)21)33(30,31)22-12-10-20(26)16-6-2-4-8-18(16)22/h1-12H,13-14,24-27H2
InChIKeySCHOAMMIWQWOGH-UHFFFAOYSA-N
XLogP2.37
TPSA172.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine?
The IUPAC name of 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine (CID 87624232) is 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine.
What is the SMILES notation for 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine?
The canonical SMILES for 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine is NCCC(N)(S(=O)(=O)c1ccc(N)c2ccccc12)S(=O)(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine?
The InChIKey is SCHOAMMIWQWOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c24-14-13-23(27,32(28,29)21-11-9-19(25)15-5-1-3-7-17(15)21)33(30,31)22-12-10-20(26)16-6-2-4-8-18(16)22/h1-12H,13-14,24-27H2.
What are the key properties of 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine?
1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine has a molecular weight of 484.60 g/mol, XLogP of 2.37, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine is sourced from PubChem (CID 87624232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).