2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide

C20H16Cl2N2O3S — CID 90579967

IUPAC2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC#CCOc2cccc3cccnc23)c(Cl)cc1Cl
InChIInChI=1S/C20H16Cl2N2O3S/c1-14-12-19(17(22)13-16(14)21)28(25,26)24-10-2-3-11-27-18-8-4-6-15-7-5-9-23-20(15)18/h4-9,12-13,24H,10-11H2,1H3
InChIKeySFEAUUPYWAHZBN-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.21
Rot. Bonds5

About 2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide

2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide (PubChem CID 90579967) has the molecular formula C20H16Cl2N2O3S and a molecular weight of 435.33 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
PubChem CID90579967
Molecular FormulaC20H16Cl2N2O3S
Molecular Weight435.33 g/mol
Exact Mass434.03
IUPAC Name2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC#CCOc2cccc3cccnc23)c(Cl)cc1Cl
InChIInChI=1S/C20H16Cl2N2O3S/c1-14-12-19(17(22)13-16(14)21)28(25,26)24-10-2-3-11-27-18-8-4-6-15-7-5-9-23-20(15)18/h4-9,12-13,24H,10-11H2,1H3
InChIKeySFEAUUPYWAHZBN-UHFFFAOYSA-N
XLogP4.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.21
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

2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579949
2-[4-[(2,4-dichloro-5-methylphenyl)sulfonylamino]but-2-ynoxy]benzamide
CID 71803322
3,5-dimethyl-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide
CID 90579937
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
methyl 4-(4-quinolin-8-yloxybut-2-ynylsulfamoyl)benzoate
CID 90579979
N-(4-quinolin-8-yloxybut-2-ynyl)-4-(trifluoromethyl)benzenesulfonamide
CID 90579964
4-nitro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579918
(E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide
CID 90579978
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
3-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
CID 90580365
N-(4-quinolin-8-yloxybut-2-ynyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90579988
5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
CID 90580362

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide (CID 90579967) is 2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCC#CCOc2cccc3cccnc23)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide?
The InChIKey is SFEAUUPYWAHZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3S/c1-14-12-19(17(22)13-16(14)21)28(25,26)24-10-2-3-11-27-18-8-4-6-15-7-5-9-23-20(15)18/h4-9,12-13,24H,10-11H2,1H3.
What are the key properties of 2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide?
2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide has a molecular weight of 435.33 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide is sourced from PubChem (CID 90579967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).