3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide

C20H21N3O3S — CID 168941261

IUPAC3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC(=O)C2)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C20H21N3O3S/c1-22(2)27(25,26)16-7-8-20(23-10-9-15(24)13-23)17(12-16)19-11-14-5-3-4-6-18(14)21-19/h3-8,11-12,21H,9-10,13H2,1-2H3
InChIKeyWTHFDYFGBLJYDJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.86
Rot. Bonds4

About 3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide

3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 168941261) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID168941261
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC(=O)C2)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C20H21N3O3S/c1-22(2)27(25,26)16-7-8-20(23-10-9-15(24)13-23)17(12-16)19-11-14-5-3-4-6-18(14)21-19/h3-8,11-12,21H,9-10,13H2,1-2H3
InChIKeyWTHFDYFGBLJYDJ-UHFFFAOYSA-N
XLogP2.86
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-(1H-indol-2-yl)-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;molecular hydrogen
CID 168940317
4-(3-ethynyl-3-hydroxypyrrolidin-1-yl)-3-(1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide
CID 168941246
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide
CID 168941189
3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940994
(3S)-1-[2-(1H-indol-2-yl)-4-methylsulfonylphenyl]pyrrolidin-3-ol
CID 168940614
1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol
CID 168941045
3-(1H-indol-2-yl)-N-methyl-4-(3-methylsulfonylpyrrolidin-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168940223
(3S)-1-[4-cyclopropylsulfonyl-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-ol
CID 168940741
(3S)-1-[4-(S-cyclopropyl-N-methylsulfonimidoyl)-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-ol
CID 176573761
6-(diethylamino)-5-(1H-indol-2-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 168940545
4-(3-cyanopyrrolidin-1-yl)-3-(1H-indol-2-yl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168941216
3-[[4-(3,3-difluoropyrrolidin-1-yl)-3-(1H-indol-2-yl)phenyl]sulfonyl-methylamino]-N-methyl-N-(oxetan-3-yl)propanamide
CID 168941105

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide (CID 168941261) is 3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCC(=O)C2)c(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is WTHFDYFGBLJYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-22(2)27(25,26)16-7-8-20(23-10-9-15(24)13-23)17(12-16)19-11-14-5-3-4-6-18(14)21-19/h3-8,11-12,21H,9-10,13H2,1-2H3.
What are the key properties of 3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide?
3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 168941261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).