N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide

C20H21ClN2O3S — CID 164939981

IUPACN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide
SMILESCN(c1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1)S(=O)(=O)C1CC1
InChIInChI=1S/C20H21ClN2O3S/c1-23(27(25,26)17-8-9-17)16-6-2-13(3-7-16)20(24)22-19-11-4-14-12-15(21)5-10-18(14)19/h2-3,5-7,10,12,17,19H,4,8-9,11H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyHRNJNZMFOXEGNC-LJQANCHMSA-N
MW404.92 g/mol
LogP3.69
Rot. Bonds5

About N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide

N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide (PubChem CID 164939981) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide
PubChem CID164939981
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC NameN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide
SMILESCN(c1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1)S(=O)(=O)C1CC1
InChIInChI=1S/C20H21ClN2O3S/c1-23(27(25,26)17-8-9-17)16-6-2-13(3-7-16)20(24)22-19-11-4-14-12-15(21)5-10-18(14)19/h2-3,5-7,10,12,17,19H,4,8-9,11H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyHRNJNZMFOXEGNC-LJQANCHMSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide
CID 155718277
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(methylsulfonylmethyl)benzamide
CID 155283312
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-methyl-3-nitrobenzamide
CID 52740733
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
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-hydroxy-3-methylbenzamide
CID 155283136
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
CID 103209666
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 164939962

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide?
The IUPAC name of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide (CID 164939981) is N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide.
What is the SMILES notation for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide?
The canonical SMILES for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide is CN(c1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide?
The InChIKey is HRNJNZMFOXEGNC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-23(27(25,26)17-8-9-17)16-6-2-13(3-7-16)20(24)22-19-11-4-14-12-15(21)5-10-18(14)19/h2-3,5-7,10,12,17,19H,4,8-9,11H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide?
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide has a molecular weight of 404.92 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 164939981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).