5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide

C22H20F2N2O3S2 — CID 43011429

IUPAC5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C22H20F2N2O3S2/c1-15-7-12-19(31(28,29)25-14-16-5-3-2-4-6-16)13-20(15)21(27)26-17-8-10-18(11-9-17)30-22(23)24/h2-13,22,25H,14H2,1H3,(H,26,27)
InChIKeyALHVPAWHTWKAIX-UHFFFAOYSA-N
MW462.54 g/mol
LogP5.04
Rot. Bonds8

About 5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide

5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide (PubChem CID 43011429) has the molecular formula C22H20F2N2O3S2 and a molecular weight of 462.54 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide
PubChem CID43011429
Molecular FormulaC22H20F2N2O3S2
Molecular Weight462.54 g/mol
Exact Mass462.09
IUPAC Name5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C22H20F2N2O3S2/c1-15-7-12-19(31(28,29)25-14-16-5-3-2-4-6-16)13-20(15)21(27)26-17-8-10-18(11-9-17)30-22(23)24/h2-13,22,25H,14H2,1H3,(H,26,27)
InChIKeyALHVPAWHTWKAIX-UHFFFAOYSA-N
XLogP5.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.54
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
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5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
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5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
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CID 35505735
5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
CID 1101750
5-(benzylsulfamoyl)-2-methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 25163680
5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 31514219
5-(benzylsulfamoyl)-N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
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5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide (CID 43011429) is 5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide?
The InChIKey is ALHVPAWHTWKAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S2/c1-15-7-12-19(31(28,29)25-14-16-5-3-2-4-6-16)13-20(15)21(27)26-17-8-10-18(11-9-17)30-22(23)24/h2-13,22,25H,14H2,1H3,(H,26,27).
What are the key properties of 5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide?
5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide has a molecular weight of 462.54 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 43011429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).