4-(3,4-dichloroanilino)pyridine-3-sulfonamide

C11H9Cl2N3O2S — CID 902071

IUPAC4-(3,4-dichloroanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c12-8-2-1-7(5-9(8)13)16-10-3-4-15-6-11(10)19(14,17)18/h1-6H,(H,15,16)(H2,14,17,18)
InChIKeyDVXSPCIJCSAKDJ-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.78
Rot. Bonds3

About 4-(3,4-dichloroanilino)pyridine-3-sulfonamide

4-(3,4-dichloroanilino)pyridine-3-sulfonamide (PubChem CID 902071) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 4-(3,4-dichloroanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dichloroanilino)pyridine-3-sulfonamide
PubChem CID902071
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name4-(3,4-dichloroanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c12-8-2-1-7(5-9(8)13)16-10-3-4-15-6-11(10)19(14,17)18/h1-6H,(H,15,16)(H2,14,17,18)
InChIKeyDVXSPCIJCSAKDJ-UHFFFAOYSA-N
XLogP2.78
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichloroanilino)pyridine-3-sulfonamide?
The IUPAC name of 4-(3,4-dichloroanilino)pyridine-3-sulfonamide (CID 902071) is 4-(3,4-dichloroanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(3,4-dichloroanilino)pyridine-3-sulfonamide?
The canonical SMILES for 4-(3,4-dichloroanilino)pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichloroanilino)pyridine-3-sulfonamide?
The InChIKey is DVXSPCIJCSAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c12-8-2-1-7(5-9(8)13)16-10-3-4-15-6-11(10)19(14,17)18/h1-6H,(H,15,16)(H2,14,17,18).
What are the key properties of 4-(3,4-dichloroanilino)pyridine-3-sulfonamide?
4-(3,4-dichloroanilino)pyridine-3-sulfonamide has a molecular weight of 318.19 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichloroanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 902071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).