5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide

C22H21ClN2O4S — CID 147240975

IUPAC5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-29-21-11-7-18(23)14-22(21)30(27,28)25-19-8-4-16(5-9-19)13-20(26)10-6-17-3-2-12-24-15-17/h2-5,7-9,11-12,14-15,25H,6,10,13H2,1H3
InChIKeyCKTPMIJBWMVBBI-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.29
Rot. Bonds9

About 5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide

5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide (PubChem CID 147240975) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
PubChem CID147240975
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-29-21-11-7-18(23)14-22(21)30(27,28)25-19-8-4-16(5-9-19)13-20(26)10-6-17-3-2-12-24-15-17/h2-5,7-9,11-12,14-15,25H,6,10,13H2,1H3
InChIKeyCKTPMIJBWMVBBI-UHFFFAOYSA-N
XLogP4.29
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
CID 158830011
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
CID 147985975
4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 158304763
2-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 157458325
4-methoxy-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid
CID 24602714
1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
CID 103042840
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
3-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfinamide
CID 160666962
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide (CID 147240975) is 5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC(=O)CCc2cccnc2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
The InChIKey is CKTPMIJBWMVBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-29-21-11-7-18(23)14-22(21)30(27,28)25-19-8-4-16(5-9-19)13-20(26)10-6-17-3-2-12-24-15-17/h2-5,7-9,11-12,14-15,25H,6,10,13H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide has a molecular weight of 444.94 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 147240975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).