4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide

C19H22F2N2O5S — CID 31398138

IUPAC4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1
InChIInChI=1S/C19H22F2N2O5S/c1-4-23(5-2)29(25,26)15-9-6-13(7-10-15)18(24)22-14-8-11-16(27-3)17(12-14)28-19(20)21/h6-12,19H,4-5H2,1-3H3,(H,22,24)
InChIKeyRQLLWAFOVQZEKB-UHFFFAOYSA-N
MW428.46 g/mol
LogP3.58
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide

4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide (PubChem CID 31398138) has the molecular formula C19H22F2N2O5S and a molecular weight of 428.46 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
PubChem CID31398138
Molecular FormulaC19H22F2N2O5S
Molecular Weight428.46 g/mol
Exact Mass428.12
IUPAC Name4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1
InChIInChI=1S/C19H22F2N2O5S/c1-4-23(5-2)29(25,26)15-9-6-13(7-10-15)18(24)22-14-8-11-16(27-3)17(12-14)28-19(20)21/h6-12,19H,4-5H2,1-3H3,(H,22,24)
InChIKeyRQLLWAFOVQZEKB-UHFFFAOYSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 1011816
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide
CID 24541366
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 46540432
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide (CID 31398138) is 4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
The InChIKey is RQLLWAFOVQZEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O5S/c1-4-23(5-2)29(25,26)15-9-6-13(7-10-15)18(24)22-14-8-11-16(27-3)17(12-14)28-19(20)21/h6-12,19H,4-5H2,1-3H3,(H,22,24).
What are the key properties of 4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide has a molecular weight of 428.46 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide is sourced from PubChem (CID 31398138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).