4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide

C21H23N3O3S — CID 113084702

IUPAC4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC2(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H23N3O3S/c1-24(2)28(26,27)16-9-7-15(8-10-16)20(25)23-14-21(11-12-21)18-13-22-19-6-4-3-5-17(18)19/h3-10,13,22H,11-12,14H2,1-2H3,(H,23,25)
InChIKeyXSHLDIZSOVLARY-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.88
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide

4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide (PubChem CID 113084702) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
PubChem CID113084702
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC2(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H23N3O3S/c1-24(2)28(26,27)16-9-7-15(8-10-16)20(25)23-14-21(11-12-21)18-13-22-19-6-4-3-5-17(18)19/h3-10,13,22H,11-12,14H2,1-2H3,(H,23,25)
InChIKeyXSHLDIZSOVLARY-UHFFFAOYSA-N
XLogP2.88
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
4-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645316
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113084707
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide
CID 113084663
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 3461746
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645778
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 41288116
3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113084752
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide
CID 113084830
4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887645

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide (CID 113084702) is 4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCC2(c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The InChIKey is XSHLDIZSOVLARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-24(2)28(26,27)16-9-7-15(8-10-16)20(25)23-14-21(11-12-21)18-13-22-19-6-4-3-5-17(18)19/h3-10,13,22H,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide?
4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide has a molecular weight of 397.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 113084702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).