2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide

C14H18ClF2N5O4S — CID 166505022

IUPAC2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1c(OC(F)F)ccc(C(=O)NC2=NNNN2CC)c1Cl
InChIInChI=1S/C14H18ClF2N5O4S/c1-3-7-27(24,25)11-9(26-13(16)17)6-5-8(10(11)15)12(23)18-14-19-20-21-22(14)4-2/h5-6,13,20-21H,3-4,7H2,1-2H3,(H,18,19,23)
InChIKeyRWMRDGVHWPPGSA-UHFFFAOYSA-N
MW425.85 g/mol
LogP1.47
Rot. Bonds7

About 2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide

2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide (PubChem CID 166505022) has the molecular formula C14H18ClF2N5O4S and a molecular weight of 425.85 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
PubChem CID166505022
Molecular FormulaC14H18ClF2N5O4S
Molecular Weight425.85 g/mol
Exact Mass425.07
IUPAC Name2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1c(OC(F)F)ccc(C(=O)NC2=NNNN2CC)c1Cl
InChIInChI=1S/C14H18ClF2N5O4S/c1-3-7-27(24,25)11-9(26-13(16)17)6-5-8(10(11)15)12(23)18-14-19-20-21-22(14)4-2/h5-6,13,20-21H,3-4,7H2,1-2H3,(H,18,19,23)
InChIKeyRWMRDGVHWPPGSA-UHFFFAOYSA-N
XLogP1.47
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide 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-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide?
The IUPAC name of 2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide (CID 166505022) is 2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide?
The canonical SMILES for 2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide is CCCS(=O)(=O)c1c(OC(F)F)ccc(C(=O)NC2=NNNN2CC)c1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide?
The InChIKey is RWMRDGVHWPPGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N5O4S/c1-3-7-27(24,25)11-9(26-13(16)17)6-5-8(10(11)15)12(23)18-14-19-20-21-22(14)4-2/h5-6,13,20-21H,3-4,7H2,1-2H3,(H,18,19,23).
What are the key properties of 2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide?
2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide has a molecular weight of 425.85 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide is sourced from PubChem (CID 166505022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).