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

C14H16F3N5O3S — CID 118162376

IUPAC2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(S(C)(=O)=O)c1C
InChIInChI=1S/C14H16F3N5O3S/c1-4-7-22-13(19-20-21-22)18-12(23)9-5-6-10(14(15,16)17)11(8(9)2)26(3,24)25/h5-6H,4,7H2,1-3H3,(H,18,19,21,23)
InChIKeyVXPGVLASEHDDKY-UHFFFAOYSA-N
MW391.38 g/mol
LogP2.07
Rot. Bonds5

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

2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118162376) has the molecular formula C14H16F3N5O3S and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID118162376
Molecular FormulaC14H16F3N5O3S
Molecular Weight391.38 g/mol
Exact Mass391.09
IUPAC Name2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(S(C)(=O)=O)c1C
InChIInChI=1S/C14H16F3N5O3S/c1-4-7-22-13(19-20-21-22)18-12(23)9-5-6-10(14(15,16)17)11(8(9)2)26(3,24)25/h5-6H,4,7H2,1-3H3,(H,18,19,21,23)
InChIKeyVXPGVLASEHDDKY-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 118162376) is 2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(S(C)(=O)=O)c1C.
What is the InChIKey of 2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is VXPGVLASEHDDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3S/c1-4-7-22-13(19-20-21-22)18-12(23)9-5-6-10(14(15,16)17)11(8(9)2)26(3,24)25/h5-6H,4,7H2,1-3H3,(H,18,19,21,23).
What are the key properties of 2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 391.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfonyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118162376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).