1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C21H22BrN3O4S — CID 30840724

IUPAC1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C21H22BrN3O4S/c1-23(2)30(28,29)18-6-7-19-14(10-18)8-9-24(19)21(27)15-11-20(26)25(13-15)17-5-3-4-16(22)12-17/h3-7,10,12,15H,8-9,11,13H2,1-2H3/t15-/m1/s1
InChIKeyWIASRLHOMAPYLK-OAHLLOKOSA-N
MW492.40 g/mol
LogP2.64
Rot. Bonds4

About 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 30840724) has the molecular formula C21H22BrN3O4S and a molecular weight of 492.40 g/mol. Its IUPAC name is 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID30840724
Molecular FormulaC21H22BrN3O4S
Molecular Weight492.40 g/mol
Exact Mass491.05
IUPAC Name1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C21H22BrN3O4S/c1-23(2)30(28,29)18-6-7-19-14(10-18)8-9-24(19)21(27)15-11-20(26)25(13-15)17-5-3-4-16(22)12-17/h3-7,10,12,15H,8-9,11,13H2,1-2H3/t15-/m1/s1
InChIKeyWIASRLHOMAPYLK-OAHLLOKOSA-N
XLogP2.64
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 55438508
1-phenyl-4-(5-pyrrolidin-1-yl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110634451
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769945
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 26290450
N,N-dimethyl-1-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 95118968
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 53155815
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098793
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851698
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110427289
1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892289

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 30840724) is 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WIASRLHOMAPYLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22BrN3O4S/c1-23(2)30(28,29)18-6-7-19-14(10-18)8-9-24(19)21(27)15-11-20(26)25(13-15)17-5-3-4-16(22)12-17/h3-7,10,12,15H,8-9,11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 492.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 30840724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).