4-chloro-N-quinolin-5-ylbutane-1-sulfonamide

C13H15ClN2O2S — CID 116814822

IUPAC4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1cccc2ncccc12
InChIInChI=1S/C13H15ClN2O2S/c14-8-1-2-10-19(17,18)16-13-7-3-6-12-11(13)5-4-9-15-12/h3-7,9,16H,1-2,8,10H2
InChIKeyGTFBXANPCHUYIB-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.00
Rot. Bonds6

About 4-chloro-N-quinolin-5-ylbutane-1-sulfonamide

4-chloro-N-quinolin-5-ylbutane-1-sulfonamide (PubChem CID 116814822) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 4-chloro-N-quinolin-5-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
PubChem CID116814822
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1cccc2ncccc12
InChIInChI=1S/C13H15ClN2O2S/c14-8-1-2-10-19(17,18)16-13-7-3-6-12-11(13)5-4-9-15-12/h3-7,9,16H,1-2,8,10H2
InChIKeyGTFBXANPCHUYIB-UHFFFAOYSA-N
XLogP3.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-N-quinolin-5-ylethanesulfonamide
CID 106057891
1-phenyl-N-quinolin-5-ylmethanesulfonamide
CID 35282433
3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide
CID 54877715
N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103943751
1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide
CID 90624719
2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3847613
4-butyl-N-quinolin-5-ylbenzenesulfonamide
CID 3337546
4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide
CID 116815533
4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530
5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline
CID 106057892
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 116815712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-quinolin-5-ylbutane-1-sulfonamide?
The IUPAC name of 4-chloro-N-quinolin-5-ylbutane-1-sulfonamide (CID 116814822) is 4-chloro-N-quinolin-5-ylbutane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-quinolin-5-ylbutane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-quinolin-5-ylbutane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1cccc2ncccc12.
What is the InChIKey of 4-chloro-N-quinolin-5-ylbutane-1-sulfonamide?
The InChIKey is GTFBXANPCHUYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-8-1-2-10-19(17,18)16-13-7-3-6-12-11(13)5-4-9-15-12/h3-7,9,16H,1-2,8,10H2.
What are the key properties of 4-chloro-N-quinolin-5-ylbutane-1-sulfonamide?
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide has a molecular weight of 298.79 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-quinolin-5-ylbutane-1-sulfonamide is sourced from PubChem (CID 116814822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).