N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide

C13H15ClN2O2S — CID 104774274

IUPACN-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide
SMILESCC(CCl)N(C)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H15ClN2O2S/c1-10(9-14)16(2)19(17,18)13-7-3-6-12-11(13)5-4-8-15-12/h3-8,10H,9H2,1-2H3
InChIKeyLBJNLHADAWBEIN-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.48
Rot. Bonds4

About N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide

N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide (PubChem CID 104774274) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide
PubChem CID104774274
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC NameN-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide
SMILESCC(CCl)N(C)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H15ClN2O2S/c1-10(9-14)16(2)19(17,18)13-7-3-6-12-11(13)5-4-8-15-12/h3-8,10H,9H2,1-2H3
InChIKeyLBJNLHADAWBEIN-UHFFFAOYSA-N
XLogP2.48
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide (CID 104774274) is N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide is CC(CCl)N(C)S(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide?
The InChIKey is LBJNLHADAWBEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-10(9-14)16(2)19(17,18)13-7-3-6-12-11(13)5-4-8-15-12/h3-8,10H,9H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide?
N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide has a molecular weight of 298.80 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide is sourced from PubChem (CID 104774274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).