3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide

C16H21N7O2S — CID 134823491

IUPAC3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C3CCNN3)cc2)c1C1NNNN1
InChIInChI=1S/C16H21N7O2S/c17-26(24,25)14-3-1-2-12(15(14)16-20-22-23-21-16)10-4-6-11(7-5-10)13-8-9-18-19-13/h1-7,13,16,18-23H,8-9H2,(H2,17,24,25)
InChIKeyQWCVXBYPVPITNI-UHFFFAOYSA-N
MW375.46 g/mol
LogP-0.34
Rot. Bonds4

About 3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide

3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823491) has the molecular formula C16H21N7O2S and a molecular weight of 375.46 g/mol. Its IUPAC name is 3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823491
Molecular FormulaC16H21N7O2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC Name3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C3CCNN3)cc2)c1C1NNNN1
InChIInChI=1S/C16H21N7O2S/c17-26(24,25)14-3-1-2-12(15(14)16-20-22-23-21-16)10-4-6-11(7-5-10)13-8-9-18-19-13/h1-7,13,16,18-23H,8-9H2,(H2,17,24,25)
InChIKeyQWCVXBYPVPITNI-UHFFFAOYSA-N
XLogP-0.34
TPSA132.34 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.46
LogP ≤ 5-0.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823491) is 3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(C3CCNN3)cc2)c1C1NNNN1.
What is the InChIKey of 3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is QWCVXBYPVPITNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2S/c17-26(24,25)14-3-1-2-12(15(14)16-20-22-23-21-16)10-4-6-11(7-5-10)13-8-9-18-19-13/h1-7,13,16,18-23H,8-9H2,(H2,17,24,25).
What are the key properties of 3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 375.46 g/mol, XLogP of -0.34, 4 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).