1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide

C14H18N2O4S — CID 110868865

IUPAC1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC3CCOC3)ccc21
InChIInChI=1S/C14H18N2O4S/c1-10(17)16-6-4-11-8-13(2-3-14(11)16)21(18,19)15-12-5-7-20-9-12/h2-3,8,12,15H,4-7,9H2,1H3
InChIKeyIPRRNTJZFLFAJP-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.66
Rot. Bonds3

About 1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 110868865) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID110868865
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC3CCOC3)ccc21
InChIInChI=1S/C14H18N2O4S/c1-10(17)16-6-4-11-8-13(2-3-14(11)16)21(18,19)15-12-5-7-20-9-12/h2-3,8,12,15H,4-7,9H2,1H3
InChIKeyIPRRNTJZFLFAJP-UHFFFAOYSA-N
XLogP0.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-acetyl-2,3-dihydroindole-5-sulfonamide
CID 17487399
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-[(3S)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830688
1-acetyl-N-[(3R)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830687
1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 96513729
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide (CID 110868865) is 1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NC3CCOC3)ccc21.
What is the InChIKey of 1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is IPRRNTJZFLFAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10(17)16-6-4-11-8-13(2-3-14(11)16)21(18,19)15-12-5-7-20-9-12/h2-3,8,12,15H,4-7,9H2,1H3.
What are the key properties of 1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110868865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).