N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide

C13H14F3N5O3S — CID 121419035

IUPACN-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide
SMILESCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(S(C)(=O)=O)c1C
InChIInChI=1S/C13H14F3N5O3S/c1-4-21-12(18-19-20-21)17-11(22)8-5-6-9(13(14,15)16)10(7(8)2)25(3,23)24/h5-6H,4H2,1-3H3,(H,17,18,20,22)
InChIKeyISQOGXVBDMZQIG-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.68
Rot. Bonds4

About N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide

N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide (PubChem CID 121419035) has the molecular formula C13H14F3N5O3S and a molecular weight of 377.35 g/mol. Its IUPAC name is N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide
PubChem CID121419035
Molecular FormulaC13H14F3N5O3S
Molecular Weight377.35 g/mol
Exact Mass377.08
IUPAC NameN-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide
SMILESCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(S(C)(=O)=O)c1C
InChIInChI=1S/C13H14F3N5O3S/c1-4-21-12(18-19-20-21)17-11(22)8-5-6-9(13(14,15)16)10(7(8)2)25(3,23)24/h5-6H,4H2,1-3H3,(H,17,18,20,22)
InChIKeyISQOGXVBDMZQIG-UHFFFAOYSA-N
XLogP1.68
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide (CID 121419035) is N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide is CCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(S(C)(=O)=O)c1C.
What is the InChIKey of N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The InChIKey is ISQOGXVBDMZQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O3S/c1-4-21-12(18-19-20-21)17-11(22)8-5-6-9(13(14,15)16)10(7(8)2)25(3,23)24/h5-6H,4H2,1-3H3,(H,17,18,20,22).
What are the key properties of N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide has a molecular weight of 377.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 121419035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).