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

C18H19ClN2O3S — CID 171794448

IUPACN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1C
InChIInChI=1S/C18H19ClN2O3S/c1-11-14(4-3-5-17(11)25(23,24)20-2)18(22)21-16-9-6-12-10-13(19)7-8-15(12)16/h3-5,7-8,10,16,20H,6,9H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyPCMBKAADGYFPPK-MRXNPFEDSA-N
MW378.88 g/mol
LogP2.97
Rot. Bonds4

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

N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide (PubChem CID 171794448) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide
PubChem CID171794448
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1C
InChIInChI=1S/C18H19ClN2O3S/c1-11-14(4-3-5-17(11)25(23,24)20-2)18(22)21-16-9-6-12-10-13(19)7-8-15(12)16/h3-5,7-8,10,16,20H,6,9H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyPCMBKAADGYFPPK-MRXNPFEDSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
CID 155718328
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 78997541
3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167578761
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(methylsulfonylmethyl)benzamide
CID 155283312
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 51125193
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide
CID 155718277
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide
CID 164939981
2-hydroxy-3-methyl-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581886

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide (CID 171794448) is N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1C.
What is the InChIKey of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide?
The InChIKey is PCMBKAADGYFPPK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-11-14(4-3-5-17(11)25(23,24)20-2)18(22)21-16-9-6-12-10-13(19)7-8-15(12)16/h3-5,7-8,10,16,20H,6,9H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide?
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide has a molecular weight of 378.88 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 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]-2-methyl-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 171794448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).