6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide

C12H9ClN6O2S — CID 7709265

IUPAC6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H9ClN6O2S/c13-12-5-4-11(7-14-12)22(20,21)16-9-2-1-3-10(6-9)19-8-15-17-18-19/h1-8,16H
InChIKeyJRSUNBRIIKTHLC-UHFFFAOYSA-N
MW336.76 g/mol
LogP1.51
Rot. Bonds4

About 6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide

6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide (PubChem CID 7709265) has the molecular formula C12H9ClN6O2S and a molecular weight of 336.76 g/mol. Its IUPAC name is 6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide
PubChem CID7709265
Molecular FormulaC12H9ClN6O2S
Molecular Weight336.76 g/mol
Exact Mass336.02
IUPAC Name6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H9ClN6O2S/c13-12-5-4-11(7-14-12)22(20,21)16-9-2-1-3-10(6-9)19-8-15-17-18-19/h1-8,16H
InChIKeyJRSUNBRIIKTHLC-UHFFFAOYSA-N
XLogP1.51
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.76
LogP ≤ 51.51
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 6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide (CID 7709265) is 6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide?
The InChIKey is JRSUNBRIIKTHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6O2S/c13-12-5-4-11(7-14-12)22(20,21)16-9-2-1-3-10(6-9)19-8-15-17-18-19/h1-8,16H.
What are the key properties of 6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide?
6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide has a molecular weight of 336.76 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7709265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).