4-(3-chloroanilino)pyridine-3-sulfonamide

C11H10ClN3O2S — CID 3040461

IUPAC4-(3-chloroanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1cccc(Cl)c1
InChIInChI=1S/C11H10ClN3O2S/c12-8-2-1-3-9(6-8)15-10-4-5-14-7-11(10)18(13,16)17/h1-7H,(H,14,15)(H2,13,16,17)
InChIKeyBBOZOBWUNWFAJH-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.13
Rot. Bonds3

About 4-(3-chloroanilino)pyridine-3-sulfonamide

4-(3-chloroanilino)pyridine-3-sulfonamide (PubChem CID 3040461) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-(3-chloroanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(3-chloroanilino)pyridine-3-sulfonamide
PubChem CID3040461
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name4-(3-chloroanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1cccc(Cl)c1
InChIInChI=1S/C11H10ClN3O2S/c12-8-2-1-3-9(6-8)15-10-4-5-14-7-11(10)18(13,16)17/h1-7H,(H,14,15)(H2,13,16,17)
InChIKeyBBOZOBWUNWFAJH-UHFFFAOYSA-N
XLogP2.13
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)pyridine-3-sulfonamide?
The IUPAC name of 4-(3-chloroanilino)pyridine-3-sulfonamide (CID 3040461) is 4-(3-chloroanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(3-chloroanilino)pyridine-3-sulfonamide?
The canonical SMILES for 4-(3-chloroanilino)pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1Nc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chloroanilino)pyridine-3-sulfonamide?
The InChIKey is BBOZOBWUNWFAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-8-2-1-3-9(6-8)15-10-4-5-14-7-11(10)18(13,16)17/h1-7H,(H,14,15)(H2,13,16,17).
What are the key properties of 4-(3-chloroanilino)pyridine-3-sulfonamide?
4-(3-chloroanilino)pyridine-3-sulfonamide has a molecular weight of 283.74 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 3040461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).