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Azosemide

C12H11ClN6O2S2 — CID 2273

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl
InChIInChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)
InChIKeyHMEDEBAJARCKCT-UHFFFAOYSA-N
MW370.85 g/mol
LogP1.84
Rot. Bonds5

About Azosemide

Azosemide (PubChem CID 2273) has the molecular formula C12H11ClN6O2S2 and a molecular weight of 370.85 g/mol. Its IUPAC name is 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameAzosemide
PubChem CID2273
Molecular FormulaC12H11ClN6O2S2
Molecular Weight370.85 g/mol
Exact Mass370.01
IUPAC Name2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl
InChIInChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)
InChIKeyHMEDEBAJARCKCT-UHFFFAOYSA-N
XLogP1.84
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.85
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Azosemide meglumine
CID 164888939
3-chloro-5-[[2-(2H-tetrazol-5-yl)anilino]methyl]thiophene-2-sulfonamide
CID 54456408
O-[2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)phenyl]sulfanyloxyhydroxylamine
CID 58627750
2-chloro-N-propan-2-yl-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 58979791
2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide;hexadecyl(trimethyl)azanium
CID 66628131
2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide;2H-tetrazole
CID 66628206

Frequently Asked Questions

What is the IUPAC name of Azosemide?
The IUPAC name of Azosemide (CID 2273) is 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for Azosemide?
The canonical SMILES for Azosemide is NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl.
What is the InChIKey of Azosemide?
The InChIKey is HMEDEBAJARCKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19).
What are the key properties of Azosemide?
Azosemide has a molecular weight of 370.85 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Azosemide is sourced from PubChem (CID 2273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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