N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide

C14H22N2O3S — CID 107200821

IUPACN-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H22N2O3S/c1-16(9-3-2-4-10-17)20(18,19)13-5-6-14-12(11-13)7-8-15-14/h5-6,11,15,17H,2-4,7-10H2,1H3
InChIKeyAGGQKJKAXWWZNF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds7

About N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide

N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 107200821) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID107200821
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H22N2O3S/c1-16(9-3-2-4-10-17)20(18,19)13-5-6-14-12(11-13)7-8-15-14/h5-6,11,15,17H,2-4,7-10H2,1H3
InChIKeyAGGQKJKAXWWZNF-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide (CID 107200821) is N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide is CN(CCCCCO)S(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is AGGQKJKAXWWZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(9-3-2-4-10-17)20(18,19)13-5-6-14-12(11-13)7-8-15-14/h5-6,11,15,17H,2-4,7-10H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 107200821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).