N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

C19H22ClN3O3S — CID 5115754

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H22ClN3O3S/c1-13-10-14-6-4-5-7-17(14)23(13)12-19(24)21-15-8-9-16(20)18(11-15)27(25,26)22(2)3/h4-9,11,13H,10,12H2,1-3H3,(H,21,24)
InChIKeyRREQJFFLGCAXQY-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.98
Rot. Bonds5

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 5115754) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID5115754
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H22ClN3O3S/c1-13-10-14-6-4-5-7-17(14)23(13)12-19(24)21-15-8-9-16(20)18(11-15)27(25,26)22(2)3/h4-9,11,13H,10,12H2,1-3H3,(H,21,24)
InChIKeyRREQJFFLGCAXQY-UHFFFAOYSA-N
XLogP2.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (CID 5115754) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is CC1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is RREQJFFLGCAXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-13-10-14-6-4-5-7-17(14)23(13)12-19(24)21-15-8-9-16(20)18(11-15)27(25,26)22(2)3/h4-9,11,13H,10,12H2,1-3H3,(H,21,24).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 407.92 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 5115754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).