N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide

C14H21N3O2S — CID 110634468

IUPACN-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C14H21N3O2S/c1-2-15-20(18,19)17-10-7-12-11-13(5-6-14(12)17)16-8-3-4-9-16/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyVVJNKXRSTYXCNI-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.50
Rot. Bonds4

About N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide

N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide (PubChem CID 110634468) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide
PubChem CID110634468
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C14H21N3O2S/c1-2-15-20(18,19)17-10-7-12-11-13(5-6-14(12)17)16-8-3-4-9-16/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyVVJNKXRSTYXCNI-UHFFFAOYSA-N
XLogP1.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 114805400
N-ethyl-5-[1-(methylamino)ethyl]-2,3-dihydroindole-1-sulfonamide
CID 102661359
1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316058
5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 110316037
1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316048
N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110316065
5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide
CID 102661387
1-(5-ethylthiophen-2-yl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315939
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
1-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinoline
CID 82538182
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide
CID 110316012

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide?
The IUPAC name of N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide (CID 110634468) is N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide.
What is the SMILES notation for N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide?
The canonical SMILES for N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide is CCNS(=O)(=O)N1CCc2cc(N3CCCC3)ccc21.
What is the InChIKey of N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide?
The InChIKey is VVJNKXRSTYXCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-2-15-20(18,19)17-10-7-12-11-13(5-6-14(12)17)16-8-3-4-9-16/h5-6,11,15H,2-4,7-10H2,1H3.
What are the key properties of N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide?
N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide is sourced from PubChem (CID 110634468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).