N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide

C14H19ClN2O3S — CID 75514637

IUPACN-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide
SMILESCN(C)S(=O)(=O)CCC(=O)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C14H19ClN2O3S/c1-17(2)21(19,20)9-8-14(18)16-13-7-6-10-11(13)4-3-5-12(10)15/h3-5,13H,6-9H2,1-2H3,(H,16,18)
InChIKeyNQQNEYYQCQZAQW-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.73
Rot. Bonds5

About N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide

N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide (PubChem CID 75514637) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide
PubChem CID75514637
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide
SMILESCN(C)S(=O)(=O)CCC(=O)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C14H19ClN2O3S/c1-17(2)21(19,20)9-8-14(18)16-13-7-6-10-11(13)4-3-5-12(10)15/h3-5,13H,6-9H2,1-2H3,(H,16,18)
InChIKeyNQQNEYYQCQZAQW-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227324
3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 75499008
3-(dimethylsulfamoyl)-N-[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 97062388
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119746685
3-(4-chloro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 71879257
2-[(4-chloro-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-cyclopropylacetamide
CID 75436397
2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 119746692
N-cyclopentyl-3-(dimethylsulfamoyl)propanamide
CID 110343266
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
CID 119773520
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide
CID 75373370
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide?
The IUPAC name of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide (CID 75514637) is N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide.
What is the SMILES notation for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide?
The canonical SMILES for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide is CN(C)S(=O)(=O)CCC(=O)NC1CCc2c(Cl)cccc21.
What is the InChIKey of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide?
The InChIKey is NQQNEYYQCQZAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-17(2)21(19,20)9-8-14(18)16-13-7-6-10-11(13)4-3-5-12(10)15/h3-5,13H,6-9H2,1-2H3,(H,16,18).
What are the key properties of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide?
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide has a molecular weight of 330.84 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide is sourced from PubChem (CID 75514637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).