N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C20H23N3O3S — CID 112502099

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCCN2CCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O3S/c24-20-6-3-13-23(20)17-7-9-18(10-8-17)27(25,26)21-12-15-22-14-11-16-4-1-2-5-19(16)22/h1-2,4-5,7-10,21H,3,6,11-15H2
InChIKeyPKTZOAVNQWMDID-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 112502099) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID112502099
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCCN2CCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O3S/c24-20-6-3-13-23(20)17-7-9-18(10-8-17)27(25,26)21-12-15-22-14-11-16-4-1-2-5-19(16)22/h1-2,4-5,7-10,21H,3,6,11-15H2
InChIKeyPKTZOAVNQWMDID-UHFFFAOYSA-N
XLogP2.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110301295
4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide
CID 138596213
4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide
CID 110667633
4-(2-oxopyrrolidin-1-yl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966549
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
N-[2-(4-aminophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide;hydrochloride
CID 120715724
N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92685610
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019455
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019456
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 37309220
N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 95045248

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 112502099) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)NCCN2CCc3ccccc32)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is PKTZOAVNQWMDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-20-6-3-13-23(20)17-7-9-18(10-8-17)27(25,26)21-12-15-22-14-11-16-4-1-2-5-19(16)22/h1-2,4-5,7-10,21H,3,6,11-15H2.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 112502099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).