N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide

C19H13Cl3N2O4S — CID 21357774

IUPACN-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide
SMILESCC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C19H13Cl3N2O4S/c1-11(25)16-8-14(3-4-18(16)28-15-6-13(21)9-23-10-15)24-29(26,27)19-5-2-12(20)7-17(19)22/h2-10,24H,1H3
InChIKeyLALWWOHHASLXCM-UHFFFAOYSA-N
MW471.75 g/mol
LogP5.84
Rot. Bonds6

About N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide

N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide (PubChem CID 21357774) has the molecular formula C19H13Cl3N2O4S and a molecular weight of 471.75 g/mol. Its IUPAC name is N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide
PubChem CID21357774
Molecular FormulaC19H13Cl3N2O4S
Molecular Weight471.75 g/mol
Exact Mass469.97
IUPAC NameN-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide
SMILESCC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C19H13Cl3N2O4S/c1-11(25)16-8-14(3-4-18(16)28-15-6-13(21)9-23-10-15)24-29(26,27)19-5-2-12(20)7-17(19)22/h2-10,24H,1H3
InChIKeyLALWWOHHASLXCM-UHFFFAOYSA-N
XLogP5.84
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.75
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide (CID 21357774) is N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide is CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide?
The InChIKey is LALWWOHHASLXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O4S/c1-11(25)16-8-14(3-4-18(16)28-15-6-13(21)9-23-10-15)24-29(26,27)19-5-2-12(20)7-17(19)22/h2-10,24H,1H3.
What are the key properties of N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide?
N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide has a molecular weight of 471.75 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 21357774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).