5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide

C16H18N6O5S2 — CID 2150158

IUPAC5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N6O5S2/c1-3-22-16(18-20-21-22)11-4-9-14(27-2)15(10-11)29(25,26)19-12-5-7-13(8-6-12)28(17,23)24/h4-10,19H,3H2,1-2H3,(H2,17,23,24)
InChIKeyPOVCEBPKDXFNBR-UHFFFAOYSA-N
MW438.49 g/mol
LogP0.82
Rot. Bonds7

About 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide

5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 2150158) has the molecular formula C16H18N6O5S2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID2150158
Molecular FormulaC16H18N6O5S2
Molecular Weight438.49 g/mol
Exact Mass438.08
IUPAC Name5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N6O5S2/c1-3-22-16(18-20-21-22)11-4-9-14(27-2)15(10-11)29(25,26)19-12-5-7-13(8-6-12)28(17,23)24/h4-10,19H,3H2,1-2H3,(H2,17,23,24)
InChIKeyPOVCEBPKDXFNBR-UHFFFAOYSA-N
XLogP0.82
TPSA159.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 2150158) is 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is POVCEBPKDXFNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O5S2/c1-3-22-16(18-20-21-22)11-4-9-14(27-2)15(10-11)29(25,26)19-12-5-7-13(8-6-12)28(17,23)24/h4-10,19H,3H2,1-2H3,(H2,17,23,24).
What are the key properties of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide?
5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 438.49 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 2150158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).