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

C12H13ClN2O2S — CID 104774167

IUPACN-(1-chloropropan-2-yl)quinoline-5-sulfonamide
SMILESCC(CCl)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C12H13ClN2O2S/c1-9(8-13)15-18(16,17)12-6-2-5-11-10(12)4-3-7-14-11/h2-7,9,15H,8H2,1H3
InChIKeyMBYLTCOLSBCQNI-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.14
Rot. Bonds4

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

N-(1-chloropropan-2-yl)quinoline-5-sulfonamide (PubChem CID 104774167) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)quinoline-5-sulfonamide
PubChem CID104774167
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-(1-chloropropan-2-yl)quinoline-5-sulfonamide
SMILESCC(CCl)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C12H13ClN2O2S/c1-9(8-13)15-18(16,17)12-6-2-5-11-10(12)4-3-7-14-11/h2-7,9,15H,8H2,1H3
InChIKeyMBYLTCOLSBCQNI-UHFFFAOYSA-N
XLogP2.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)quinoline-5-sulfonamide
CID 113451724
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 104774274
N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
CID 115752345
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
2-(quinolin-5-ylsulfonylamino)propanimidamide
CID 104774334
N-(1-cyanobutyl)quinoline-5-sulfonamide
CID 115755821
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)quinoline-5-sulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)quinoline-5-sulfonamide (CID 104774167) is N-(1-chloropropan-2-yl)quinoline-5-sulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)quinoline-5-sulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)quinoline-5-sulfonamide is CC(CCl)NS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-(1-chloropropan-2-yl)quinoline-5-sulfonamide?
The InChIKey is MBYLTCOLSBCQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-9(8-13)15-18(16,17)12-6-2-5-11-10(12)4-3-7-14-11/h2-7,9,15H,8H2,1H3.
What are the key properties of N-(1-chloropropan-2-yl)quinoline-5-sulfonamide?
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide has a molecular weight of 284.77 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)quinoline-5-sulfonamide is sourced from PubChem (CID 104774167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).