N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide

C15H22N2O2S — CID 107421960

IUPACN-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H22N2O2S/c1-2-3-8-17(14-5-6-14)20(18,19)15-7-4-12-10-16-11-13(12)9-15/h4,7,9,14,16H,2-3,5-6,8,10-11H2,1H3
InChIKeyGAJVWVGKOLPXCK-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.24
Rot. Bonds6

About N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide

N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421960) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421960
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H22N2O2S/c1-2-3-8-17(14-5-6-14)20(18,19)15-7-4-12-10-16-11-13(12)9-15/h4,7,9,14,16H,2-3,5-6,8,10-11H2,1H3
InChIKeyGAJVWVGKOLPXCK-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-cyclopropyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 61443459
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421853
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide
CID 106833026
N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422373
N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63239480
6-amino-N-butyl-N-cyclopropylpyridine-3-sulfonamide
CID 62157833
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422029

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421960) is N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide is CCCCN(C1CC1)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is GAJVWVGKOLPXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-3-8-17(14-5-6-14)20(18,19)15-7-4-12-10-16-11-13(12)9-15/h4,7,9,14,16H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).