2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone

C18H21N3O3S — CID 92664262

IUPAC2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H21N3O3S/c1-19(2)25(23,24)20(3)16-10-8-15(9-11-16)18(22)21-13-12-14-6-4-5-7-17(14)21/h4-11H,12-13H2,1-3H3
InChIKeyJWEZNOMNUCAOGV-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.13
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone

2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone (PubChem CID 92664262) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone
PubChem CID92664262
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H21N3O3S/c1-19(2)25(23,24)20(3)16-10-8-15(9-11-16)18(22)21-13-12-14-6-4-5-7-17(14)21/h4-11H,12-13H2,1-3H3
InChIKeyJWEZNOMNUCAOGV-UHFFFAOYSA-N
XLogP2.13
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 26681045
2,3-dihydroindol-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762714
2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60815593
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone
CID 110746141
N,1-dimethyl-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 19607887
2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 51147451

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone (CID 92664262) is 2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone is CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone?
The InChIKey is JWEZNOMNUCAOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-19(2)25(23,24)20(3)16-10-8-15(9-11-16)18(22)21-13-12-14-6-4-5-7-17(14)21/h4-11H,12-13H2,1-3H3.
What are the key properties of 2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone?
2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone has a molecular weight of 359.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-[dimethylsulfamoyl(methyl)amino]phenyl]methanone is sourced from PubChem (CID 92664262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).