ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide

C10H15N5O2S — CID 144893675

IUPACethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
SMILESCC.COc1ccc(S(N)=O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C8H9N5O2S.C2H6/c1-15-5-2-3-7(16(9)14)6(4-5)8-10-12-13-11-8;1-2/h2-4H,9H2,1H3,(H,10,11,12,13);1-2H3
InChIKeyIQWWMWIRTIHUBO-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.88
Rot. Bonds3

About ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide

ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide (PubChem CID 144893675) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide.

Molecular Properties

Compound Nameethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
PubChem CID144893675
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Nameethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
SMILESCC.COc1ccc(S(N)=O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C8H9N5O2S.C2H6/c1-15-5-2-3-7(16(9)14)6(4-5)8-10-12-13-11-8;1-2/h2-4H,9H2,1H3,(H,10,11,12,13);1-2H3
InChIKeyIQWWMWIRTIHUBO-UHFFFAOYSA-N
XLogP0.88
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The IUPAC name of ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide (CID 144893675) is ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide.
What is the SMILES notation for ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The canonical SMILES for ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide is CC.COc1ccc(S(N)=O)c(-c2nn[nH]n2)c1.
What is the InChIKey of ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The InChIKey is IQWWMWIRTIHUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S.C2H6/c1-15-5-2-3-7(16(9)14)6(4-5)8-10-12-13-11-8;1-2/h2-4H,9H2,1H3,(H,10,11,12,13);1-2H3.
What are the key properties of ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide has a molecular weight of 269.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide is sourced from PubChem (CID 144893675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).