N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C13H20N2O3S — CID 107422373

IUPACN-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H20N2O3S/c1-2-15(6-3-7-16)19(17,18)13-5-4-11-9-14-10-12(11)8-13/h4-5,8,14,16H,2-3,6-7,9-10H2,1H3
InChIKeyCZWYKXDOBNXUBF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.68
Rot. Bonds6

About N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422373) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422373
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H20N2O3S/c1-2-15(6-3-7-16)19(17,18)13-5-4-11-9-14-10-12(11)8-13/h4-5,8,14,16H,2-3,6-7,9-10H2,1H3
InChIKeyCZWYKXDOBNXUBF-UHFFFAOYSA-N
XLogP0.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421940
N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 54878655
N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421853
N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421858
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43136904
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422496
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755430
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422373) is N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is CCN(CCCO)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is CZWYKXDOBNXUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-15(6-3-7-16)19(17,18)13-5-4-11-9-14-10-12(11)8-13/h4-5,8,14,16H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).