3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide

C18H20F2N2O3S2 — CID 8911034

IUPAC3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC(F)F)c1
InChIInChI=1S/C18H20F2N2O3S2/c1-3-22(4-2)27(24,25)14-9-7-8-13(12-14)17(23)21-15-10-5-6-11-16(15)26-18(19)20/h5-12,18H,3-4H2,1-2H3,(H,21,23)
InChIKeyXVDBBORWGULXGL-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.28
Rot. Bonds8

About 3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide

3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide (PubChem CID 8911034) has the molecular formula C18H20F2N2O3S2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
PubChem CID8911034
Molecular FormulaC18H20F2N2O3S2
Molecular Weight414.50 g/mol
Exact Mass414.09
IUPAC Name3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC(F)F)c1
InChIInChI=1S/C18H20F2N2O3S2/c1-3-22(4-2)27(24,25)14-9-7-8-13(12-14)17(23)21-15-10-5-6-11-16(15)26-18(19)20/h5-12,18H,3-4H2,1-2H3,(H,21,23)
InChIKeyXVDBBORWGULXGL-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
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3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
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N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
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3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073
2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid
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3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
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CID 8839459

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide (CID 8911034) is 3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC(F)F)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide?
The InChIKey is XVDBBORWGULXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S2/c1-3-22(4-2)27(24,25)14-9-7-8-13(12-14)17(23)21-15-10-5-6-11-16(15)26-18(19)20/h5-12,18H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide?
3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide has a molecular weight of 414.50 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 8911034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).