2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide

C12H11ClN6O2S2 — CID 2273

💊View drug profile → azosemide
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 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide

2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide (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 Name2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
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
5-[1-(t-Butylcarbonyloxymethyl)-1H-tetrazol-5-yl]-2-chloro-4-[(2-thienylmethyl)amino]benzenesulfonamide
CID 60208421
2-chloro-5-[1-(ethylcarbonyloxymethyl)-1H-tetrazol-5-yl]-4-[(2-thienylmethyl)amino]benzenesulfonamide
CID 60208422
2-chloro-5-[1-(hydroxymethyl)-1H-tetrazol-5-yl]-4-[(2-thienylmethyl)amino]benzenesulfonamide
CID 60208423
2-chloro-5-[1-(methoxymethyl)-1H-tetrazol-5-yl]-4-[(2-thienylmethyl)amino]benzenesulfonamide
CID 60208424
2-Chloro-5-[1-(methylsulfanylmethyl)tetrazol-5-yl]-4-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 60208425
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
2-chloro-N-methyl-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 68170056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide (CID 2273) is 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl.
What is the InChIKey of 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
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 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide 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 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 2273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).