2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide

C17H19N5O3S — CID 1345568

IUPAC2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(-c2nnnn2C)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C17H19N5O3S/c1-22-17(19-20-21-22)14-8-9-15(25-2)16(12-14)26(23,24)18-11-10-13-6-4-3-5-7-13/h3-9,12,18H,10-11H2,1-2H3
InChIKeyQTNPLFLIGXICSW-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.41
Rot. Bonds7

About 2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide

2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1345568) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1345568
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(-c2nnnn2C)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C17H19N5O3S/c1-22-17(19-20-21-22)14-8-9-15(25-2)16(12-14)26(23,24)18-11-10-13-6-4-3-5-7-13/h3-9,12,18H,10-11H2,1-2H3
InChIKeyQTNPLFLIGXICSW-UHFFFAOYSA-N
XLogP1.41
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide (CID 1345568) is 2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(-c2nnnn2C)cc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is QTNPLFLIGXICSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-22-17(19-20-21-22)14-8-9-15(25-2)16(12-14)26(23,24)18-11-10-13-6-4-3-5-7-13/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of 2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide?
2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methyltetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1345568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).