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

C13H16ClF2N5O4S — CID 166505074

IUPAC2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1c(OC(F)F)ccc(C(=O)NC2=NNNN2C)c1Cl
InChIInChI=1S/C13H16ClF2N5O4S/c1-3-6-26(23,24)10-8(25-12(15)16)5-4-7(9(10)14)11(22)17-13-18-19-20-21(13)2/h4-5,12,19-20H,3,6H2,1-2H3,(H,17,18,22)
InChIKeyWQOKSXZHPJMOSD-UHFFFAOYSA-N
MW411.82 g/mol
LogP1.08
Rot. Bonds6

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

2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide (PubChem CID 166505074) has the molecular formula C13H16ClF2N5O4S and a molecular weight of 411.82 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
PubChem CID166505074
Molecular FormulaC13H16ClF2N5O4S
Molecular Weight411.82 g/mol
Exact Mass411.06
IUPAC Name2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1c(OC(F)F)ccc(C(=O)NC2=NNNN2C)c1Cl
InChIInChI=1S/C13H16ClF2N5O4S/c1-3-6-26(23,24)10-8(25-12(15)16)5-4-7(9(10)14)11(22)17-13-18-19-20-21(13)2/h4-5,12,19-20H,3,6H2,1-2H3,(H,17,18,22)
InChIKeyWQOKSXZHPJMOSD-UHFFFAOYSA-N
XLogP1.08
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
CID 166505022
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 168840917
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide
CID 168840906
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 168841017
2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide
CID 166505037
2-chloro-3-(2,2-difluoropropanoylamino)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840922
3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840965
2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 170938721
2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168840878
1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone
CID 115784838
2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104620278
2-(difluoromethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 34174804

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide?
The IUPAC name of 2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide (CID 166505074) is 2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide?
The canonical SMILES for 2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide is CCCS(=O)(=O)c1c(OC(F)F)ccc(C(=O)NC2=NNNN2C)c1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide?
The InChIKey is WQOKSXZHPJMOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N5O4S/c1-3-6-26(23,24)10-8(25-12(15)16)5-4-7(9(10)14)11(22)17-13-18-19-20-21(13)2/h4-5,12,19-20H,3,6H2,1-2H3,(H,17,18,22).
What are the key properties of 2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide?
2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide has a molecular weight of 411.82 g/mol, XLogP of 1.08, 6 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-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide is sourced from PubChem (CID 166505074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).