2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide

C19H15FN2O3S — CID 90579949

IUPAC2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
SMILESO=S(=O)(NCC#CCOc1cccc2cccnc12)c1ccccc1F
InChIInChI=1S/C19H15FN2O3S/c20-16-9-1-2-11-18(16)26(23,24)22-13-3-4-14-25-17-10-5-7-15-8-6-12-21-19(15)17/h1-2,5-12,22H,13-14H2
InChIKeyQSBLTXSCFXOYOX-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.73
Rot. Bonds5

About 2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide

2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide (PubChem CID 90579949) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
PubChem CID90579949
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Name2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
SMILESO=S(=O)(NCC#CCOc1cccc2cccnc12)c1ccccc1F
InChIInChI=1S/C19H15FN2O3S/c20-16-9-1-2-11-18(16)26(23,24)22-13-3-4-14-25-17-10-5-7-15-8-6-12-21-19(15)17/h1-2,5-12,22H,13-14H2
InChIKeyQSBLTXSCFXOYOX-UHFFFAOYSA-N
XLogP2.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972
2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579967
N-(4-quinolin-8-yloxybut-2-ynyl)-4-(trifluoromethyl)benzenesulfonamide
CID 90579964
methyl 4-(4-quinolin-8-yloxybut-2-ynylsulfamoyl)benzoate
CID 90579979
4-nitro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579918
3,5-dimethyl-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide
CID 90579937
N-(4-quinolin-8-yloxybut-2-ynyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90579988
(E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide
CID 90579978
2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579752
5-fluoro-2-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)benzenesulfonamide
CID 90578313
1-(4-quinolin-8-yloxybut-2-ynyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90579896

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide (CID 90579949) is 2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide is O=S(=O)(NCC#CCOc1cccc2cccnc12)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide?
The InChIKey is QSBLTXSCFXOYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c20-16-9-1-2-11-18(16)26(23,24)22-13-3-4-14-25-17-10-5-7-15-8-6-12-21-19(15)17/h1-2,5-12,22H,13-14H2.
What are the key properties of 2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide?
2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide has a molecular weight of 370.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide is sourced from PubChem (CID 90579949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).