8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide

C18H14BrClN2O3S — CID 150542677

IUPAC8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide
SMILESO=S(=O)(N[C@H]1CCOc2ccccc21)c1cnc2c(Br)cccc2c1Cl
InChIInChI=1S/C18H14BrClN2O3S/c19-13-6-3-5-12-17(20)16(10-21-18(12)13)26(23,24)22-14-8-9-25-15-7-2-1-4-11(14)15/h1-7,10,14,22H,8-9H2/t14-/m0/s1
InChIKeyIGFHJEKKKZMWDF-AWEZNQCLSA-N
MW453.75 g/mol
LogP4.45
Rot. Bonds3

About 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide

8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide (PubChem CID 150542677) has the molecular formula C18H14BrClN2O3S and a molecular weight of 453.75 g/mol. Its IUPAC name is 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide.

Molecular Properties

Compound Name8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide
PubChem CID150542677
Molecular FormulaC18H14BrClN2O3S
Molecular Weight453.75 g/mol
Exact Mass451.96
IUPAC Name8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide
SMILESO=S(=O)(N[C@H]1CCOc2ccccc21)c1cnc2c(Br)cccc2c1Cl
InChIInChI=1S/C18H14BrClN2O3S/c19-13-6-3-5-12-17(20)16(10-21-18(12)13)26(23,24)22-14-8-9-25-15-7-2-1-4-11(14)15/h1-7,10,14,22H,8-9H2/t14-/m0/s1
InChIKeyIGFHJEKKKZMWDF-AWEZNQCLSA-N
XLogP4.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134498034
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]cinnoline-3-carboxamide
CID 137372084
8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide
CID 146252297
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide
CID 61108787
N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 18096764
5-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methyltriazole-4-sulfonamide
CID 106467586
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 95769679
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzenesulfonamide
CID 110751703
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699
N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 126768267

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide?
The IUPAC name of 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide (CID 150542677) is 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide.
What is the SMILES notation for 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide?
The canonical SMILES for 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide is O=S(=O)(N[C@H]1CCOc2ccccc21)c1cnc2c(Br)cccc2c1Cl.
What is the InChIKey of 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide?
The InChIKey is IGFHJEKKKZMWDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H14BrClN2O3S/c19-13-6-3-5-12-17(20)16(10-21-18(12)13)26(23,24)22-14-8-9-25-15-7-2-1-4-11(14)15/h1-7,10,14,22H,8-9H2/t14-/m0/s1.
What are the key properties of 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide?
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide has a molecular weight of 453.75 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide is sourced from PubChem (CID 150542677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).