3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide

C21H26ClN3O4S — CID 55863638

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H26ClN3O4S/c1-3-12-23-20(26)15-25(13-4-2)21(27)16-8-7-9-17(14-16)30(28,29)24-19-11-6-5-10-18(19)22/h5-11,14,24H,3-4,12-13,15H2,1-2H3,(H,23,26)
InChIKeyFMYGVXCJHARLQX-UHFFFAOYSA-N
MW451.98 g/mol
LogP3.52
Rot. Bonds10

About 3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide

3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide (PubChem CID 55863638) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
PubChem CID55863638
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H26ClN3O4S/c1-3-12-23-20(26)15-25(13-4-2)21(27)16-8-7-9-17(14-16)30(28,29)24-19-11-6-5-10-18(19)22/h5-11,14,24H,3-4,12-13,15H2,1-2H3,(H,23,26)
InChIKeyFMYGVXCJHARLQX-UHFFFAOYSA-N
XLogP3.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-benzyl-3-[(2-chlorophenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 60520179
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
3-[(butanoylamino)carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide
CID 24540511
N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide
CID 24982505
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 31588662
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479518
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 26583597
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 38550193

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide (CID 55863638) is 3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide is CCCNC(=O)CN(CCC)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
The InChIKey is FMYGVXCJHARLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-3-12-23-20(26)15-25(13-4-2)21(27)16-8-7-9-17(14-16)30(28,29)24-19-11-6-5-10-18(19)22/h5-11,14,24H,3-4,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide has a molecular weight of 451.98 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide is sourced from PubChem (CID 55863638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).