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

C15H22N2O3S — CID 61435584

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O3S/c1-2-17(11-13-4-3-9-20-13)21(18,19)14-5-6-15-12(10-14)7-8-16-15/h5-6,10,13,16H,2-4,7-9,11H2,1H3
InChIKeyMIFIDRBUPCOZHD-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.84
Rot. Bonds5

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

N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 61435584) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID61435584
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O3S/c1-2-17(11-13-4-3-9-20-13)21(18,19)14-5-6-15-12(10-14)7-8-16-15/h5-6,10,13,16H,2-4,7-9,11H2,1H3
InChIKeyMIFIDRBUPCOZHD-UHFFFAOYSA-N
XLogP1.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63708062
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 62157823
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274009
N-cyclopentyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43267403
4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851
N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43614367
N-methyl-N-(oxolan-3-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 82742932
N-butyl-N-cyclopropyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 61443459
5-chloro-N-ethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64606943
4-N-[(4-ethoxyphenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189852
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 61435584) is N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide is CCN(CC1CCCO1)S(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is MIFIDRBUPCOZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-17(11-13-4-3-9-20-13)21(18,19)14-5-6-15-12(10-14)7-8-16-15/h5-6,10,13,16H,2-4,7-9,11H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 61435584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).