N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide

C21H27FN2O4S — CID 52707592

IUPACN-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C21H27FN2O4S/c1-4-7-14-28-19-11-9-8-10-18(19)23-21(25)16-12-13-17(22)20(15-16)29(26,27)24(5-2)6-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,25)
InChIKeyNAJKMIWTLHRBOD-UHFFFAOYSA-N
MW422.52 g/mol
LogP4.29
Rot. Bonds10

About N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide

N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide (PubChem CID 52707592) has the molecular formula C21H27FN2O4S and a molecular weight of 422.52 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
PubChem CID52707592
Molecular FormulaC21H27FN2O4S
Molecular Weight422.52 g/mol
Exact Mass422.17
IUPAC NameN-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C21H27FN2O4S/c1-4-7-14-28-19-11-9-8-10-18(19)23-21(25)16-12-13-17(22)20(15-16)29(26,27)24(5-2)6-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,25)
InChIKeyNAJKMIWTLHRBOD-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 5082468
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 8503404
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55887161
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55528339
3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242937
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 49182836
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide (CID 52707592) is N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide is CCCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The InChIKey is NAJKMIWTLHRBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4S/c1-4-7-14-28-19-11-9-8-10-18(19)23-21(25)16-12-13-17(22)20(15-16)29(26,27)24(5-2)6-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,25).
What are the key properties of N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide has a molecular weight of 422.52 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 52707592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).