7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C19H19BrN2O3S — CID 96542945

IUPAC7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)N[C@@H](c3ccccc3)C3CC3)c(Br)cc2N1
InChIInChI=1S/C19H19BrN2O3S/c20-15-11-16-14(8-9-18(23)21-16)10-17(15)26(24,25)22-19(13-6-7-13)12-4-2-1-3-5-12/h1-5,10-11,13,19,22H,6-9H2,(H,21,23)/t19-/m0/s1
InChIKeyRYKZHLDIADOOQM-IBGZPJMESA-N
MW435.34 g/mol
LogP3.76
Rot. Bonds5

About 7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 96542945) has the molecular formula C19H19BrN2O3S and a molecular weight of 435.34 g/mol. Its IUPAC name is 7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID96542945
Molecular FormulaC19H19BrN2O3S
Molecular Weight435.34 g/mol
Exact Mass434.03
IUPAC Name7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)N[C@@H](c3ccccc3)C3CC3)c(Br)cc2N1
InChIInChI=1S/C19H19BrN2O3S/c20-15-11-16-14(8-9-18(23)21-16)10-17(15)26(24,25)22-19(13-6-7-13)12-4-2-1-3-5-12/h1-5,10-11,13,19,22H,6-9H2,(H,21,23)/t19-/m0/s1
InChIKeyRYKZHLDIADOOQM-IBGZPJMESA-N
XLogP3.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 96542945) is 7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)N[C@@H](c3ccccc3)C3CC3)c(Br)cc2N1.
What is the InChIKey of 7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is RYKZHLDIADOOQM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19BrN2O3S/c20-15-11-16-14(8-9-18(23)21-16)10-17(15)26(24,25)22-19(13-6-7-13)12-4-2-1-3-5-12/h1-5,10-11,13,19,22H,6-9H2,(H,21,23)/t19-/m0/s1.
What are the key properties of 7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 435.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 96542945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).