4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C10H8N6O2S2 — CID 742144

IUPAC4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H8N6O2S2/c17-20(18,13-10-11-5-6-19-10)9-3-1-8(2-4-9)16-7-12-14-15-16/h1-7H,(H,11,13)
InChIKeyWJFMBGMKGIRMGN-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.92
Rot. Bonds4

About 4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 742144) has the molecular formula C10H8N6O2S2 and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID742144
Molecular FormulaC10H8N6O2S2
Molecular Weight308.35 g/mol
Exact Mass308.02
IUPAC Name4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H8N6O2S2/c17-20(18,13-10-11-5-6-19-10)9-3-1-8(2-4-9)16-7-12-14-15-16/h1-7H,(H,11,13)
InChIKeyWJFMBGMKGIRMGN-UHFFFAOYSA-N
XLogP0.92
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 742144) is 4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is WJFMBGMKGIRMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2S2/c17-20(18,13-10-11-5-6-19-10)9-3-1-8(2-4-9)16-7-12-14-15-16/h1-7H,(H,11,13).
What are the key properties of 4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 308.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 742144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).