2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C14H16F3N5O3S — CID 118639449

IUPAC2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCCc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1S(=O)(=O)CC
InChIInChI=1S/C14H16F3N5O3S/c1-4-8-9(12(23)18-13-19-20-21-22(13)3)6-7-10(14(15,16)17)11(8)26(24,25)5-2/h6-7H,4-5H2,1-3H3,(H,18,19,21,23)
InChIKeyMRDFTAGQKYTSBD-UHFFFAOYSA-N
MW391.38 g/mol
LogP1.84
Rot. Bonds5

About 2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118639449) has the molecular formula C14H16F3N5O3S and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID118639449
Molecular FormulaC14H16F3N5O3S
Molecular Weight391.38 g/mol
Exact Mass391.09
IUPAC Name2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCCc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1S(=O)(=O)CC
InChIInChI=1S/C14H16F3N5O3S/c1-4-8-9(12(23)18-13-19-20-21-22(13)3)6-7-10(14(15,16)17)11(8)26(24,25)5-2/h6-7H,4-5H2,1-3H3,(H,18,19,21,23)
InChIKeyMRDFTAGQKYTSBD-UHFFFAOYSA-N
XLogP1.84
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 118639449) is 2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CCc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1S(=O)(=O)CC.
What is the InChIKey of 2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is MRDFTAGQKYTSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3S/c1-4-8-9(12(23)18-13-19-20-21-22(13)3)6-7-10(14(15,16)17)11(8)26(24,25)5-2/h6-7H,4-5H2,1-3H3,(H,18,19,21,23).
What are the key properties of 2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 391.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118639449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).