4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide

C17H18F2N2O5S — CID 7921725

IUPAC4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O5S/c1-21(2)27(23,24)13-8-9-15(25-3)14(10-13)20-16(22)11-4-6-12(7-5-11)26-17(18)19/h4-10,17H,1-3H3,(H,20,22)
InChIKeyXVPJEVDSOMCNAI-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.80
Rot. Bonds7

About 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide

4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide (PubChem CID 7921725) has the molecular formula C17H18F2N2O5S and a molecular weight of 400.40 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
PubChem CID7921725
Molecular FormulaC17H18F2N2O5S
Molecular Weight400.40 g/mol
Exact Mass400.09
IUPAC Name4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O5S/c1-21(2)27(23,24)13-8-9-15(25-3)14(10-13)20-16(22)11-4-6-12(7-5-11)26-17(18)19/h4-10,17H,1-3H3,(H,20,22)
InChIKeyXVPJEVDSOMCNAI-UHFFFAOYSA-N
XLogP2.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 25332133
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 40695566
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
(2S)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838711
(2R)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838712

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide (CID 7921725) is 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The InChIKey is XVPJEVDSOMCNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O5S/c1-21(2)27(23,24)13-8-9-15(25-3)14(10-13)20-16(22)11-4-6-12(7-5-11)26-17(18)19/h4-10,17H,1-3H3,(H,20,22).
What are the key properties of 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide has a molecular weight of 400.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide is sourced from PubChem (CID 7921725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).