2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide

C12H14ClF2N5O3S — CID 166505037

IUPAC2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide
SMILESCN1NNN=C1NC(=O)c1ccc(OCC(F)F)c(S(C)=O)c1Cl
InChIInChI=1S/C12H14ClF2N5O3S/c1-20-12(17-18-19-20)16-11(21)6-3-4-7(23-5-8(14)15)10(9(6)13)24(2)22/h3-4,8,18-19H,5H2,1-2H3,(H,16,17,21)
InChIKeyGUBKDITYSCUQPN-UHFFFAOYSA-N
MW381.79 g/mol
LogP0.68
Rot. Bonds5

About 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide

2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide (PubChem CID 166505037) has the molecular formula C12H14ClF2N5O3S and a molecular weight of 381.79 g/mol. Its IUPAC name is 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide
PubChem CID166505037
Molecular FormulaC12H14ClF2N5O3S
Molecular Weight381.79 g/mol
Exact Mass381.05
IUPAC Name2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide
SMILESCN1NNN=C1NC(=O)c1ccc(OCC(F)F)c(S(C)=O)c1Cl
InChIInChI=1S/C12H14ClF2N5O3S/c1-20-12(17-18-19-20)16-11(21)6-3-4-7(23-5-8(14)15)10(9(6)13)24(2)22/h3-4,8,18-19H,5H2,1-2H3,(H,16,17,21)
InChIKeyGUBKDITYSCUQPN-UHFFFAOYSA-N
XLogP0.68
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide?
The IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide (CID 166505037) is 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide.
What is the SMILES notation for 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide?
The canonical SMILES for 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide is CN1NNN=C1NC(=O)c1ccc(OCC(F)F)c(S(C)=O)c1Cl.
What is the InChIKey of 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide?
The InChIKey is GUBKDITYSCUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N5O3S/c1-20-12(17-18-19-20)16-11(21)6-3-4-7(23-5-8(14)15)10(9(6)13)24(2)22/h3-4,8,18-19H,5H2,1-2H3,(H,16,17,21).
What are the key properties of 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide?
2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide has a molecular weight of 381.79 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide is sourced from PubChem (CID 166505037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).