2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide

C14H19N3O3S — CID 104972452

IUPAC2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCC[C@H]3CCCN3)ccc2N1
InChIInChI=1S/C14H19N3O3S/c18-14-9-10-8-12(3-4-13(10)17-14)21(19,20)16-7-5-11-2-1-6-15-11/h3-4,8,11,15-16H,1-2,5-7,9H2,(H,17,18)/t11-/m1/s1
InChIKeyHTTVWHGQXMWQDM-LLVKDONJSA-N
MW309.39 g/mol
LogP0.60
Rot. Bonds5

About 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide

2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 104972452) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide
PubChem CID104972452
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCC[C@H]3CCCN3)ccc2N1
InChIInChI=1S/C14H19N3O3S/c18-14-9-10-8-12(3-4-13(10)17-14)21(19,20)16-7-5-11-2-1-6-15-11/h3-4,8,11,15-16H,1-2,5-7,9H2,(H,17,18)/t11-/m1/s1
InChIKeyHTTVWHGQXMWQDM-LLVKDONJSA-N
XLogP0.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 104972659
5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one
CID 115210113
N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110398488
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
N-cyclopentyl-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
CID 113052888
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 110789472
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115208383
4-nitro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 57035740
N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide (CID 104972452) is 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCC[C@H]3CCCN3)ccc2N1.
What is the InChIKey of 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is HTTVWHGQXMWQDM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-14-9-10-8-12(3-4-13(10)17-14)21(19,20)16-7-5-11-2-1-6-15-11/h3-4,8,11,15-16H,1-2,5-7,9H2,(H,17,18)/t11-/m1/s1.
What are the key properties of 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide?
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 104972452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).