N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide

C14H20N2O3S — CID 114469007

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C14H20N2O3S/c1-11(2)10-19-8-7-16-20(17,18)13-4-3-12-5-6-15-14(12)9-13/h3-4,9,15-16H,1,5-8,10H2,2H3
InChIKeyWWNSPUAHHGYJCC-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.53
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide (PubChem CID 114469007) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide
PubChem CID114469007
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C14H20N2O3S/c1-11(2)10-19-8-7-16-20(17,18)13-4-3-12-5-6-15-14(12)9-13/h3-4,9,15-16H,1,5-8,10H2,2H3
InChIKeyWWNSPUAHHGYJCC-UHFFFAOYSA-N
XLogP1.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 114468987
3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698683
4-amino-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464967
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115698833
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698761
3-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698727
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691011
N-(2-cyclopentyloxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63829043
N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 106191065
4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
CID 114468845
N-[(4-methyl-3-pyridinyl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 114956766
N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 80600536

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide (CID 114469007) is N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide is C=C(C)COCCNS(=O)(=O)c1ccc2c(c1)NCC2.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide?
The InChIKey is WWNSPUAHHGYJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(2)10-19-8-7-16-20(17,18)13-4-3-12-5-6-15-14(12)9-13/h3-4,9,15-16H,1,5-8,10H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide is sourced from PubChem (CID 114469007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).