4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide

C18H20N2O3S — CID 24580864

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H20N2O3S/c1-20(2)18(21)14-6-9-16(10-7-14)19-24(22,23)17-11-8-13-4-3-5-15(13)12-17/h6-12,19H,3-5H2,1-2H3
InChIKeyFURNNUDUEYMBAI-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.68
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide

4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide (PubChem CID 24580864) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
PubChem CID24580864
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H20N2O3S/c1-20(2)18(21)14-6-9-16(10-7-14)19-24(22,23)17-11-8-13-4-3-5-15(13)12-17/h6-12,19H,3-5H2,1-2H3
InChIKeyFURNNUDUEYMBAI-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 24580874
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816
4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
N,N-dimethyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 24580834
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 110280668
N-cyclopropyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]acetamide
CID 113094117
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide (CID 24580864) is 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide?
The InChIKey is FURNNUDUEYMBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-20(2)18(21)14-6-9-16(10-7-14)19-24(22,23)17-11-8-13-4-3-5-15(13)12-17/h6-12,19H,3-5H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide?
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 24580864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).