2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide

C16H17N5O4S — CID 1204214

IUPAC2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1
InChIInChI=1S/C16H17N5O4S/c1-21-16(17-19-20-21)11-4-9-14(25-3)15(10-11)26(22,23)18-12-5-7-13(24-2)8-6-12/h4-10,18H,1-3H3
InChIKeyQIIKBUSMDFGTAL-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.70
Rot. Bonds6

About 2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide

2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 1204214) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID1204214
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1
InChIInChI=1S/C16H17N5O4S/c1-21-16(17-19-20-21)11-4-9-14(25-3)15(10-11)26(22,23)18-12-5-7-13(24-2)8-6-12/h4-10,18H,1-3H3
InChIKeyQIIKBUSMDFGTAL-UHFFFAOYSA-N
XLogP1.70
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide (CID 1204214) is 2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1.
What is the InChIKey of 2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is QIIKBUSMDFGTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-21-16(17-19-20-21)11-4-9-14(25-3)15(10-11)26(22,23)18-12-5-7-13(24-2)8-6-12/h4-10,18H,1-3H3.
What are the key properties of 2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide?
2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methoxyphenyl)-5-(1-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 1204214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).