N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide

C14H22N2O2S — CID 107421858

IUPACN-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H22N2O2S/c1-4-11(3)16(5-2)19(17,18)14-7-6-12-9-15-10-13(12)8-14/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyVMQRSXLNNDOWSB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.10
Rot. Bonds5

About N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide

N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421858) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421858
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H22N2O2S/c1-4-11(3)16(5-2)19(17,18)14-7-6-12-9-15-10-13(12)8-14/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyVMQRSXLNNDOWSB-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421853
N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422322
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274848
N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422373
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422496
N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421711
4-[butan-2-yl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791315
3-amino-4-bromo-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 113288288
5-methylsulfonyl-2,3-dihydro-1H-isoindole
CID 122493957
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422271
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421940
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421858) is N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide is CCC(C)N(CC)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is VMQRSXLNNDOWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-11(3)16(5-2)19(17,18)14-7-6-12-9-15-10-13(12)8-14/h6-8,11,15H,4-5,9-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).