N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide

C15H23N3O2S — CID 60855529

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2ccc3c(c2)CCN3)C1
InChIInChI=1S/C15H23N3O2S/c1-2-18-8-6-12(11-18)10-17-21(19,20)14-3-4-15-13(9-14)5-7-16-15/h3-4,9,12,16-17H,2,5-8,10-11H2,1H3
InChIKeyWSKYZSWXOMUTGZ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.27
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 60855529) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID60855529
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2ccc3c(c2)CCN3)C1
InChIInChI=1S/C15H23N3O2S/c1-2-18-8-6-12(11-18)10-17-21(19,20)14-3-4-15-13(9-14)5-7-16-15/h3-4,9,12,16-17H,2,5-8,10-11H2,1H3
InChIKeyWSKYZSWXOMUTGZ-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide (CID 60855529) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide is CCN1CCC(CNS(=O)(=O)c2ccc3c(c2)CCN3)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is WSKYZSWXOMUTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-18-8-6-12(11-18)10-17-21(19,20)14-3-4-15-13(9-14)5-7-16-15/h3-4,9,12,16-17H,2,5-8,10-11H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 60855529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).