N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide

C15H19BrN2O2S — CID 104774193

IUPACN-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCBr)C(C)C)c2cccnc12
InChIInChI=1S/C15H19BrN2O2S/c1-11(2)18(10-8-16)21(19,20)14-7-6-12(3)15-13(14)5-4-9-17-15/h4-7,9,11H,8,10H2,1-3H3
InChIKeyFFXHOPGWKWLROI-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.34
Rot. Bonds5

About N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide

N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide (PubChem CID 104774193) has the molecular formula C15H19BrN2O2S and a molecular weight of 371.30 g/mol. Its IUPAC name is N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide
PubChem CID104774193
Molecular FormulaC15H19BrN2O2S
Molecular Weight371.30 g/mol
Exact Mass370.04
IUPAC NameN-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCBr)C(C)C)c2cccnc12
InChIInChI=1S/C15H19BrN2O2S/c1-11(2)18(10-8-16)21(19,20)14-7-6-12(3)15-13(14)5-4-9-17-15/h4-7,9,11H,8,10H2,1-3H3
InChIKeyFFXHOPGWKWLROI-UHFFFAOYSA-N
XLogP3.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Quinolinesulfonamide
CID 94464
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
2,4,6-trimethyl-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 739450
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
1-(2,4,6-Trimethylphenyl)sulfonylindole
CID 919981
Lopac-I-1392
CID 6603882
2,4,6-trimethyl-N-[(2S)-1-(quinolin-5-ylamino)propan-2-yl]benzenesulfonamide
CID 57651538
8-(4-Methylpiperidin-1-yl)sulfonylquinoline
CID 701759
8-Piperidin-1-ylsulfonylquinoline
CID 768759
1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate
CID 114009
8-(2-Methylpiperidin-1-yl)sulfonylquinoline
CID 4522106
(R)-4-((4-(4-tert-butylphenylsulfonyl)-3-methylpiperazin-1-yl)methyl)quinoline
CID 44564878

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide (CID 104774193) is N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)N(CCBr)C(C)C)c2cccnc12.
What is the InChIKey of N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide?
The InChIKey is FFXHOPGWKWLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S/c1-11(2)18(10-8-16)21(19,20)14-7-6-12(3)15-13(14)5-4-9-17-15/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide?
N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide has a molecular weight of 371.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide is sourced from PubChem (CID 104774193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).