5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide

C16H16IN5O3S — CID 979765

IUPAC5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C16H16IN5O3S/c1-3-22-16(18-20-21-22)11-4-9-14(25-2)15(10-11)26(23,24)19-13-7-5-12(17)6-8-13/h4-10,19H,3H2,1-2H3
InChIKeyADRNPVHVFNQTMV-UHFFFAOYSA-N
MW485.31 g/mol
LogP2.77
Rot. Bonds6

About 5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide

5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide (PubChem CID 979765) has the molecular formula C16H16IN5O3S and a molecular weight of 485.31 g/mol. Its IUPAC name is 5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide
PubChem CID979765
Molecular FormulaC16H16IN5O3S
Molecular Weight485.31 g/mol
Exact Mass485.00
IUPAC Name5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C16H16IN5O3S/c1-3-22-16(18-20-21-22)11-4-9-14(25-2)15(10-11)26(23,24)19-13-7-5-12(17)6-8-13/h4-10,19H,3H2,1-2H3
InChIKeyADRNPVHVFNQTMV-UHFFFAOYSA-N
XLogP2.77
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide (CID 979765) is 5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is ADRNPVHVFNQTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN5O3S/c1-3-22-16(18-20-21-22)11-4-9-14(25-2)15(10-11)26(23,24)19-13-7-5-12(17)6-8-13/h4-10,19H,3H2,1-2H3.
What are the key properties of 5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide?
5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 485.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyltetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 979765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).