4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide

C15H11F2N5OS — CID 24617889

IUPAC4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H11F2N5OS/c16-15(17)24-13-6-4-10(5-7-13)14(23)19-11-2-1-3-12(8-11)22-9-18-20-21-22/h1-9,15H,(H,19,23)
InChIKeySUHQIIZXRGBNLM-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.23
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide

4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 24617889) has the molecular formula C15H11F2N5OS and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID24617889
Molecular FormulaC15H11F2N5OS
Molecular Weight347.35 g/mol
Exact Mass347.07
IUPAC Name4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H11F2N5OS/c16-15(17)24-13-6-4-10(5-7-13)14(23)19-11-2-1-3-12(8-11)22-9-18-20-21-22/h1-9,15H,(H,19,23)
InChIKeySUHQIIZXRGBNLM-UHFFFAOYSA-N
XLogP3.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
5-hydroxy-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63860092
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
4-(dimethylsulfamoyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8753105
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
CID 17469695
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide
CID 24616145
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134002005

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 24617889) is 4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is SUHQIIZXRGBNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5OS/c16-15(17)24-13-6-4-10(5-7-13)14(23)19-11-2-1-3-12(8-11)22-9-18-20-21-22/h1-9,15H,(H,19,23).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide?
4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 347.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 24617889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).