5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide

C12H8Cl2N6O2S — CID 7694056

IUPAC5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N6O2S/c13-11-5-10(6-15-12(11)14)23(21,22)17-8-2-1-3-9(4-8)20-7-16-18-19-20/h1-7,17H
InChIKeyHBZIVYHJAFSVTC-UHFFFAOYSA-N
MW371.21 g/mol
LogP2.16
Rot. Bonds4

About 5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide

5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide (PubChem CID 7694056) has the molecular formula C12H8Cl2N6O2S and a molecular weight of 371.21 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide
PubChem CID7694056
Molecular FormulaC12H8Cl2N6O2S
Molecular Weight371.21 g/mol
Exact Mass369.98
IUPAC Name5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N6O2S/c13-11-5-10(6-15-12(11)14)23(21,22)17-8-2-1-3-9(4-8)20-7-16-18-19-20/h1-7,17H
InChIKeyHBZIVYHJAFSVTC-UHFFFAOYSA-N
XLogP2.16
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide (CID 7694056) is 5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide?
The InChIKey is HBZIVYHJAFSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N6O2S/c13-11-5-10(6-15-12(11)14)23(21,22)17-8-2-1-3-9(4-8)20-7-16-18-19-20/h1-7,17H.
What are the key properties of 5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide has a molecular weight of 371.21 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7694056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).