N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide

C16H16F2N2O6S2 — CID 55406097

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H16F2N2O6S2/c1-20(26-2)28(24,25)12-9-7-11(8-10-12)15(21)19-13-5-3-4-6-14(13)27(22,23)16(17)18/h3-10,16H,1-2H3,(H,19,21)
InChIKeyHBSZZVBJUAPTSX-UHFFFAOYSA-N
MW434.44 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide

N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 55406097) has the molecular formula C16H16F2N2O6S2 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID55406097
Molecular FormulaC16H16F2N2O6S2
Molecular Weight434.44 g/mol
Exact Mass434.04
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H16F2N2O6S2/c1-20(26-2)28(24,25)12-9-7-11(8-10-12)15(21)19-13-5-3-4-6-14(13)27(22,23)16(17)18/h3-10,16H,1-2H3,(H,19,21)
InChIKeyHBSZZVBJUAPTSX-UHFFFAOYSA-N
XLogP2.12
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55983949
3,4-dichloro-N-[2-(difluoromethylsulfonyl)phenyl]benzamide
CID 8916740
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
CID 9327451
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8713756
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9224243
4-[methoxy(methyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370312
4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 86821736

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide (CID 55406097) is N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is HBSZZVBJUAPTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O6S2/c1-20(26-2)28(24,25)12-9-7-11(8-10-12)15(21)19-13-5-3-4-6-14(13)27(22,23)16(17)18/h3-10,16H,1-2H3,(H,19,21).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 434.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55406097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).