5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide

C20H17ClN2O3S — CID 90580362

IUPAC5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC#CCOc1ccc2cccnc2c1
InChIInChI=1S/C20H17ClN2O3S/c1-15-6-8-17(21)13-20(15)27(24,25)23-11-2-3-12-26-18-9-7-16-5-4-10-22-19(16)14-18/h4-10,13-14,23H,11-12H2,1H3
InChIKeyBYDOMZBIOGFPDY-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.56
Rot. Bonds5

About 5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide

5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide (PubChem CID 90580362) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
PubChem CID90580362
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC#CCOc1ccc2cccnc2c1
InChIInChI=1S/C20H17ClN2O3S/c1-15-6-8-17(21)13-20(15)27(24,25)23-11-2-3-12-26-18-9-7-16-5-4-10-22-19(16)14-18/h4-10,13-14,23H,11-12H2,1H3
InChIKeyBYDOMZBIOGFPDY-UHFFFAOYSA-N
XLogP3.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.56
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

3-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
CID 90580365
3-chloro-4-fluoro-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
CID 90580360
N-(4-quinolin-7-yloxybut-2-ynyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90580361
N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide
CID 90580327
5-chloro-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methylbenzenesulfonamide
CID 90575738
4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide
CID 90580032
2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580105
1-ethyl-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580309
4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580086
2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579967
3-(benzenesulfonyl)-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580234
N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577505

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide (CID 90580362) is 5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCC#CCOc1ccc2cccnc2c1.
What is the InChIKey of 5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide?
The InChIKey is BYDOMZBIOGFPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-15-6-8-17(21)13-20(15)27(24,25)23-11-2-3-12-26-18-9-7-16-5-4-10-22-19(16)14-18/h4-10,13-14,23H,11-12H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide?
5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide has a molecular weight of 400.89 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide is sourced from PubChem (CID 90580362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).