N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide

C21H25FN2O3S — CID 139011158

IUPACN,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NC2CC(c3ccccc3F)C2)cc1
InChIInChI=1S/C21H25FN2O3S/c1-3-24(4-2)21(25)15-9-11-18(12-10-15)28(26,27)23-17-13-16(14-17)19-7-5-6-8-20(19)22/h5-12,16-17,23H,3-4,13-14H2,1-2H3
InChIKeyDZVPHNXMEVUYMS-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.53
Rot. Bonds7

About N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide

N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide (PubChem CID 139011158) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide
PubChem CID139011158
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NC2CC(c3ccccc3F)C2)cc1
InChIInChI=1S/C21H25FN2O3S/c1-3-24(4-2)21(25)15-9-11-18(12-10-15)28(26,27)23-17-13-16(14-17)19-7-5-6-8-20(19)22/h5-12,16-17,23H,3-4,13-14H2,1-2H3
InChIKeyDZVPHNXMEVUYMS-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide
CID 55594795
N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 39482944
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
N,N-diethyl-4-(methoxysulfamoyl)benzamide
CID 47051185
4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
CID 119960282
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide
CID 47954940
4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
CID 119986423
4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 51126304
N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120885122
4-[[(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-yl]sulfamoyl]-N,N-diethylbenzamide
CID 96535936
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide (CID 139011158) is N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)NC2CC(c3ccccc3F)C2)cc1.
What is the InChIKey of N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide?
The InChIKey is DZVPHNXMEVUYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-3-24(4-2)21(25)15-9-11-18(12-10-15)28(26,27)23-17-13-16(14-17)19-7-5-6-8-20(19)22/h5-12,16-17,23H,3-4,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide?
N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[3-(2-fluorophenyl)cyclobutyl]sulfamoyl]benzamide is sourced from PubChem (CID 139011158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).