2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline

C10H11F2N5O2S — CID 61353029

IUPAC2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline
SMILESCS(=O)(=O)CCn1nnnc1-c1cc(N)c(F)cc1F
InChIInChI=1S/C10H11F2N5O2S/c1-20(18,19)3-2-17-10(14-15-16-17)6-4-9(13)8(12)5-7(6)11/h4-5H,2-3,13H2,1H3
InChIKeyZOKOTLQAWKMQRJ-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.25
Rot. Bonds4

About 2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline

2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline (PubChem CID 61353029) has the molecular formula C10H11F2N5O2S and a molecular weight of 303.29 g/mol. Its IUPAC name is 2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline
PubChem CID61353029
Molecular FormulaC10H11F2N5O2S
Molecular Weight303.29 g/mol
Exact Mass303.06
IUPAC Name2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline
SMILESCS(=O)(=O)CCn1nnnc1-c1cc(N)c(F)cc1F
InChIInChI=1S/C10H11F2N5O2S/c1-20(18,19)3-2-17-10(14-15-16-17)6-4-9(13)8(12)5-7(6)11/h4-5H,2-3,13H2,1H3
InChIKeyZOKOTLQAWKMQRJ-UHFFFAOYSA-N
XLogP0.25
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline?
The IUPAC name of 2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline (CID 61353029) is 2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline is CS(=O)(=O)CCn1nnnc1-c1cc(N)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline?
The InChIKey is ZOKOTLQAWKMQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O2S/c1-20(18,19)3-2-17-10(14-15-16-17)6-4-9(13)8(12)5-7(6)11/h4-5H,2-3,13H2,1H3.
What are the key properties of 2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline?
2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline has a molecular weight of 303.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61353029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).