4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide

C20H22ClN3O4S — CID 26769862

IUPAC4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O4S/c1-23(2)29(27,28)17-7-8-18-15(13-17)10-12-24(18)19(25)9-11-22-20(26)14-3-5-16(21)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,22,26)
InChIKeyPVSVHVYCLQCAJN-UHFFFAOYSA-N
MW435.93 g/mol
LogP2.30
Rot. Bonds6

About 4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide

4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide (PubChem CID 26769862) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide
PubChem CID26769862
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O4S/c1-23(2)29(27,28)17-7-8-18-15(13-17)10-12-24(18)19(25)9-11-22-20(26)14-3-5-16(21)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,22,26)
InChIKeyPVSVHVYCLQCAJN-UHFFFAOYSA-N
XLogP2.30
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 30222545
N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 46535281
1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 99999439
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769570
N-[3-(5-chloro-2,3-dihydroindol-1-yl)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide
CID 70808394
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 2468773
N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55790102
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide (CID 26769862) is 4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide?
The InChIKey is PVSVHVYCLQCAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-23(2)29(27,28)17-7-8-18-15(13-17)10-12-24(18)19(25)9-11-22-20(26)14-3-5-16(21)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,22,26).
What are the key properties of 4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide?
4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide has a molecular weight of 435.93 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 26769862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).