3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide

C8H9N5O2S — CID 144893572

IUPAC3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
SMILESCOc1cccc(S(N)=O)c1-c1nn[nH]n1
InChIInChI=1S/C8H9N5O2S/c1-15-5-3-2-4-6(16(9)14)7(5)8-10-12-13-11-8/h2-4H,9H2,1H3,(H,10,11,12,13)
InChIKeyCVWIJNLTHGEUED-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.14
Rot. Bonds3

About 3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide

3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide (PubChem CID 144893572) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide.

Molecular Properties

Compound Name3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
PubChem CID144893572
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
SMILESCOc1cccc(S(N)=O)c1-c1nn[nH]n1
InChIInChI=1S/C8H9N5O2S/c1-15-5-3-2-4-6(16(9)14)7(5)8-10-12-13-11-8/h2-4H,9H2,1H3,(H,10,11,12,13)
InChIKeyCVWIJNLTHGEUED-UHFFFAOYSA-N
XLogP-0.14
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952
3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide
CID 144893486
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720193
4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione
CID 90849315
ethane;3-[6-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide
CID 144893253
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol
CID 161184284
5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole
CID 70704186
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
N-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541019
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
(3S,4aR,6S,8aR)-6-[3-methoxy-2-(2H-tetrazol-5-yl)anilino]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid;hydrochloride
CID 72544188

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The IUPAC name of 3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide (CID 144893572) is 3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide.
What is the SMILES notation for 3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The canonical SMILES for 3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide is COc1cccc(S(N)=O)c1-c1nn[nH]n1.
What is the InChIKey of 3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The InChIKey is CVWIJNLTHGEUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-15-5-3-2-4-6(16(9)14)7(5)8-10-12-13-11-8/h2-4H,9H2,1H3,(H,10,11,12,13).
What are the key properties of 3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide has a molecular weight of 239.26 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide is sourced from PubChem (CID 144893572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).