N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide

C18H20ClN3O3S — CID 155718277

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide
SMILESCN(C)S(=O)(=O)Nc1ccc(C(=O)NC2CCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-22(2)26(24,25)21-15-7-3-12(4-8-15)18(23)20-17-10-5-13-11-14(19)6-9-16(13)17/h3-4,6-9,11,17,21H,5,10H2,1-2H3,(H,20,23)
InChIKeyIRBYZQOXPUVTDS-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.98
Rot. Bonds5

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide (PubChem CID 155718277) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide
PubChem CID155718277
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide
SMILESCN(C)S(=O)(=O)Nc1ccc(C(=O)NC2CCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-22(2)26(24,25)21-15-7-3-12(4-8-15)18(23)20-17-10-5-13-11-14(19)6-9-16(13)17/h3-4,6-9,11,17,21H,5,10H2,1-2H3,(H,20,23)
InChIKeyIRBYZQOXPUVTDS-UHFFFAOYSA-N
XLogP2.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide
CID 162768159
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide
CID 164939981
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(methylsulfonylmethyl)benzamide
CID 155283312
4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167189010
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
CID 103209666
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide
CID 52740733
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide
CID 171794448
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 51125193
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide (CID 155718277) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide is CN(C)S(=O)(=O)Nc1ccc(C(=O)NC2CCc3cc(Cl)ccc32)cc1.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide?
The InChIKey is IRBYZQOXPUVTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-22(2)26(24,25)21-15-7-3-12(4-8-15)18(23)20-17-10-5-13-11-14(19)6-9-16(13)17/h3-4,6-9,11,17,21H,5,10H2,1-2H3,(H,20,23).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide has a molecular weight of 393.90 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide is sourced from PubChem (CID 155718277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).