4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C12H13N7O2S2 — CID 3053089

IUPAC4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(CCc2nn[nH]n2)c2nccs2)cc1
InChIInChI=1S/C12H13N7O2S2/c13-9-1-3-10(4-2-9)23(20,21)19(12-14-6-8-22-12)7-5-11-15-17-18-16-11/h1-4,6,8H,5,7,13H2,(H,15,16,17,18)
InChIKeyVKOFHJBDOCYCLJ-UHFFFAOYSA-N
MW351.42 g/mol
LogP0.68
Rot. Bonds6

About 4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 3053089) has the molecular formula C12H13N7O2S2 and a molecular weight of 351.42 g/mol. Its IUPAC name is 4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID3053089
Molecular FormulaC12H13N7O2S2
Molecular Weight351.42 g/mol
Exact Mass351.06
IUPAC Name4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(CCc2nn[nH]n2)c2nccs2)cc1
InChIInChI=1S/C12H13N7O2S2/c13-9-1-3-10(4-2-9)23(20,21)19(12-14-6-8-22-12)7-5-11-15-17-18-16-11/h1-4,6,8H,5,7,13H2,(H,15,16,17,18)
InChIKeyVKOFHJBDOCYCLJ-UHFFFAOYSA-N
XLogP0.68
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 3053089) is 4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)N(CCc2nn[nH]n2)c2nccs2)cc1.
What is the InChIKey of 4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VKOFHJBDOCYCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O2S2/c13-9-1-3-10(4-2-9)23(20,21)19(12-14-6-8-22-12)7-5-11-15-17-18-16-11/h1-4,6,8H,5,7,13H2,(H,15,16,17,18).
What are the key properties of 4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3053089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).