N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide

C13H18N2O3S — CID 62823134

IUPACN-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H18N2O3S/c16-19(17,15-8-10-4-6-18-9-10)12-1-2-13-11(7-12)3-5-14-13/h1-2,7,10,14-15H,3-6,8-9H2
InChIKeyCOKQTIWGWXVINH-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.97
Rot. Bonds4

About N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide

N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 62823134) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID62823134
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H18N2O3S/c16-19(17,15-8-10-4-6-18-9-10)12-1-2-13-11(7-12)3-5-14-13/h1-2,7,10,14-15H,3-6,8-9H2
InChIKeyCOKQTIWGWXVINH-UHFFFAOYSA-N
XLogP0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 107414189
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 60855529
N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 93343039
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478
N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63708062
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110736429
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
N-methyl-N-(oxolan-3-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 82742932

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 62823134) is N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide is O=S(=O)(NCC1CCOC1)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is COKQTIWGWXVINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-19(17,15-8-10-4-6-18-9-10)12-1-2-13-11(7-12)3-5-14-13/h1-2,7,10,14-15H,3-6,8-9H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 282.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 62823134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).