N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide

C13H15BrN2O2S — CID 113451725

IUPACN-(2-bromopropyl)-N-methylquinoline-5-sulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H15BrN2O2S/c1-10(14)9-16(2)19(17,18)13-7-3-6-12-11(13)5-4-8-15-12/h3-8,10H,9H2,1-2H3
InChIKeyBCTSZGOOBDTNDY-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.64
Rot. Bonds4

About N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide

N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide (PubChem CID 113451725) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methylquinoline-5-sulfonamide
PubChem CID113451725
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC NameN-(2-bromopropyl)-N-methylquinoline-5-sulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H15BrN2O2S/c1-10(14)9-16(2)19(17,18)13-7-3-6-12-11(13)5-4-8-15-12/h3-8,10H,9H2,1-2H3
InChIKeyBCTSZGOOBDTNDY-UHFFFAOYSA-N
XLogP2.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.64
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-(2-bromopropyl)-N-methylquinoline-5-sulfonamide?
The IUPAC name of N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide (CID 113451725) is N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide is CC(Br)CN(C)S(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide?
The InChIKey is BCTSZGOOBDTNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-10(14)9-16(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-(2-bromopropyl)-N-methylquinoline-5-sulfonamide?
N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide has a molecular weight of 343.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide is sourced from PubChem (CID 113451725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).