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

C16H16FN5O3S — CID 1204213

IUPAC5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FN5O3S/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
InChIKeyYDYQAUIIGDLJSP-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.31
Rot. Bonds6

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

5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide (PubChem CID 1204213) has the molecular formula C16H16FN5O3S and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
PubChem CID1204213
Molecular FormulaC16H16FN5O3S
Molecular Weight377.40 g/mol
Exact Mass377.10
IUPAC Name5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FN5O3S/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
InChIKeyYDYQAUIIGDLJSP-UHFFFAOYSA-N
XLogP2.31
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide (CID 1204213) is 5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is YDYQAUIIGDLJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S/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-fluorophenyl)-2-methoxybenzenesulfonamide?
5-(1-ethyltetrazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 377.40 g/mol, XLogP of 2.31, 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-fluorophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 1204213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).