N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C19H20F2N2O5S — CID 55849060

IUPACN-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H20F2N2O5S/c20-19(21)28-15-4-1-3-14(11-15)23-18(24)13-6-8-17(9-7-13)29(25,26)22-12-16-5-2-10-27-16/h1,3-4,6-9,11,16,19,22H,2,5,10,12H2,(H,23,24)
InChIKeyYHPUOPAHQKSCEI-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.00
Rot. Bonds8

About N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 55849060) has the molecular formula C19H20F2N2O5S and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID55849060
Molecular FormulaC19H20F2N2O5S
Molecular Weight426.44 g/mol
Exact Mass426.11
IUPAC NameN-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H20F2N2O5S/c20-19(21)28-15-4-1-3-14(11-15)23-18(24)13-6-8-17(9-7-13)29(25,26)22-12-16-5-2-10-27-16/h1,3-4,6-9,11,16,19,22H,2,5,10,12H2,(H,23,24)
InChIKeyYHPUOPAHQKSCEI-UHFFFAOYSA-N
XLogP3.00
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
3-(2-methylpropanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094236
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-phenoxyphenyl)benzamide
CID 25412976
N-(1,3-benzodioxol-5-yl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1077889
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 41119372
3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 41300861
N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017303
4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147023
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 55849060) is N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(Nc1cccc(OC(F)F)c1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is YHPUOPAHQKSCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O5S/c20-19(21)28-15-4-1-3-14(11-15)23-18(24)13-6-8-17(9-7-13)29(25,26)22-12-16-5-2-10-27-16/h1,3-4,6-9,11,16,19,22H,2,5,10,12H2,(H,23,24).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 426.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55849060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).