3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide

C14H13Cl4N3O2S — CID 134359740

IUPAC3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCNc1c(Cl)cncc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl4N3O2S/c15-10-3-2-9(6-11(10)16)24(22,23)21-5-1-4-20-14-12(17)7-19-8-13(14)18/h2-3,6-8,21H,1,4-5H2,(H,19,20)
InChIKeyODXDSSUEUDRVHX-UHFFFAOYSA-N
MW429.16 g/mol
LogP4.48
Rot. Bonds7

About 3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide

3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide (PubChem CID 134359740) has the molecular formula C14H13Cl4N3O2S and a molecular weight of 429.16 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide
PubChem CID134359740
Molecular FormulaC14H13Cl4N3O2S
Molecular Weight429.16 g/mol
Exact Mass426.95
IUPAC Name3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCNc1c(Cl)cncc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl4N3O2S/c15-10-3-2-9(6-11(10)16)24(22,23)21-5-1-4-20-14-12(17)7-19-8-13(14)18/h2-3,6-8,21H,1,4-5H2,(H,19,20)
InChIKeyODXDSSUEUDRVHX-UHFFFAOYSA-N
XLogP4.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.16
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide (CID 134359740) is 3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide is O=S(=O)(NCCCNc1c(Cl)cncc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide?
The InChIKey is ODXDSSUEUDRVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl4N3O2S/c15-10-3-2-9(6-11(10)16)24(22,23)21-5-1-4-20-14-12(17)7-19-8-13(14)18/h2-3,6-8,21H,1,4-5H2,(H,19,20).
What are the key properties of 3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide?
3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide has a molecular weight of 429.16 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[(3,5-dichloro-4-pyridinyl)amino]propyl]benzenesulfonamide is sourced from PubChem (CID 134359740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).