3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide

C17H20N6O3S — CID 123331639

IUPAC3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1C1=NNNN1
InChIInChI=1S/C17H20N6O3S/c18-27(24,25)17-15(16-20-22-23-21-16)14(5-8-19-17)13-3-1-11(2-4-13)12-6-9-26-10-7-12/h1-5,8,12,22-23H,6-7,9-10H2,(H,20,21)(H2,18,24,25)
InChIKeyBEKWSPVXFGISOU-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.56
Rot. Bonds4

About 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide

3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide (PubChem CID 123331639) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide
PubChem CID123331639
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1C1=NNNN1
InChIInChI=1S/C17H20N6O3S/c18-27(24,25)17-15(16-20-22-23-21-16)14(5-8-19-17)13-3-1-11(2-4-13)12-6-9-26-10-7-12/h1-5,8,12,22-23H,6-7,9-10H2,(H,20,21)(H2,18,24,25)
InChIKeyBEKWSPVXFGISOU-UHFFFAOYSA-N
XLogP0.56
TPSA130.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide?
The IUPAC name of 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide (CID 123331639) is 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1C1=NNNN1.
What is the InChIKey of 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide?
The InChIKey is BEKWSPVXFGISOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c18-27(24,25)17-15(16-20-22-23-21-16)14(5-8-19-17)13-3-1-11(2-4-13)12-6-9-26-10-7-12/h1-5,8,12,22-23H,6-7,9-10H2,(H,20,21)(H2,18,24,25).
What are the key properties of 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide?
3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[4-(oxan-4-yl)phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 123331639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).