N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide

C19H22F2N2O4S — CID 8796668

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
SMILESCCOc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C19H22F2N2O4S/c1-4-23(5-2)28(25,26)18-12-16(7-8-17(18)27-6-3)22-19(24)13-9-14(20)11-15(21)10-13/h7-12H,4-6H2,1-3H3,(H,22,24)
InChIKeyBFKIVZUPBHXVAV-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.65
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide (PubChem CID 8796668) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
PubChem CID8796668
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
SMILESCCOc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C19H22F2N2O4S/c1-4-23(5-2)28(25,26)18-12-16(7-8-17(18)27-6-3)22-19(24)13-9-14(20)11-15(21)10-13/h7-12H,4-6H2,1-3H3,(H,22,24)
InChIKeyBFKIVZUPBHXVAV-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-fluoro-4-methyl-5-nitrobenzamide
CID 46491311
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 55606313
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9224063
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 30104388

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide (CID 8796668) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide is CCOc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide?
The InChIKey is BFKIVZUPBHXVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-4-23(5-2)28(25,26)18-12-16(7-8-17(18)27-6-3)22-19(24)13-9-14(20)11-15(21)10-13/h7-12H,4-6H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide has a molecular weight of 412.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 8796668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).