N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide

C19H18N2O3S — CID 139679092

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCC1OCCc2ccccc21)c1cccc2cccnc12
InChIInChI=1S/C19H18N2O3S/c22-25(23,18-9-3-6-15-7-4-11-20-19(15)18)21-13-17-16-8-2-1-5-14(16)10-12-24-17/h1-9,11,17,21H,10,12-13H2
InChIKeyLJJJYUKZLQDBGW-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.83
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide (PubChem CID 139679092) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide
PubChem CID139679092
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCC1OCCc2ccccc21)c1cccc2cccnc12
InChIInChI=1S/C19H18N2O3S/c22-25(23,18-9-3-6-15-7-4-11-20-19(15)18)21-13-17-16-8-2-1-5-14(16)10-12-24-17/h1-9,11,17,21H,10,12-13H2
InChIKeyLJJJYUKZLQDBGW-UHFFFAOYSA-N
XLogP2.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
N-(benzylsulfamoyl)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 95722846
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide
CID 99802354
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-butylquinoline-8-sulfonamide
CID 2068304
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoline-8-sulfonamide
CID 126920240
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 4619893
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide
CID 72717929
N-(2-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880599

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide (CID 139679092) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide is O=S(=O)(NCC1OCCc2ccccc21)c1cccc2cccnc12.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide?
The InChIKey is LJJJYUKZLQDBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-25(23,18-9-3-6-15-7-4-11-20-19(15)18)21-13-17-16-8-2-1-5-14(16)10-12-24-17/h1-9,11,17,21H,10,12-13H2.
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide has a molecular weight of 354.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 139679092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).