5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C17H12ClF2NO2S — CID 7578111

IUPAC5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(SC(F)F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C17H12ClF2NO2S/c1-9-13-8-10(18)2-7-14(13)23-15(9)16(22)21-11-3-5-12(6-4-11)24-17(19)20/h2-8,17H,1H3,(H,21,22)
InChIKeyQGFKZBWFDKJICE-UHFFFAOYSA-N
MW367.80 g/mol
LogP5.96
Rot. Bonds4

About 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7578111) has the molecular formula C17H12ClF2NO2S and a molecular weight of 367.80 g/mol. Its IUPAC name is 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7578111
Molecular FormulaC17H12ClF2NO2S
Molecular Weight367.80 g/mol
Exact Mass367.02
IUPAC Name5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(SC(F)F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C17H12ClF2NO2S/c1-9-13-8-10(18)2-7-14(13)23-15(9)16(22)21-11-3-5-12(6-4-11)24-17(19)20/h2-8,17H,1H3,(H,21,22)
InChIKeyQGFKZBWFDKJICE-UHFFFAOYSA-N
XLogP5.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.80
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7944836
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7581232
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 18284969
5-chloro-3-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 46433020
5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
CID 17013415
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55699301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 7578111) is 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(SC(F)F)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QGFKZBWFDKJICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2NO2S/c1-9-13-8-10(18)2-7-14(13)23-15(9)16(22)21-11-3-5-12(6-4-11)24-17(19)20/h2-8,17H,1H3,(H,21,22).
What are the key properties of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7578111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).