2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide

C20H17ClN2O5S — CID 67255121

IUPAC2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2C(C)=O)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C20H17ClN2O5S/c1-13(24)17-5-3-4-6-20(17)29(25,26)23-15-7-8-18(19(10-15)27-2)28-16-9-14(21)11-22-12-16/h3-12,23H,1-2H3
InChIKeySAMSCLGZTOIVSQ-UHFFFAOYSA-N
MW432.89 g/mol
LogP4.54
Rot. Bonds7

About 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide

2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide (PubChem CID 67255121) has the molecular formula C20H17ClN2O5S and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide
PubChem CID67255121
Molecular FormulaC20H17ClN2O5S
Molecular Weight432.89 g/mol
Exact Mass432.05
IUPAC Name2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2C(C)=O)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C20H17ClN2O5S/c1-13(24)17-5-3-4-6-20(17)29(25,26)23-15-7-8-18(19(10-15)27-2)28-16-9-14(21)11-22-12-16/h3-12,23H,1-2H3
InChIKeySAMSCLGZTOIVSQ-UHFFFAOYSA-N
XLogP4.54
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide with MolForge

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Related Compounds

methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 71525044
N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide
CID 69201104
N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]pyridine-3-sulfonamide
CID 23515243
2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 158112111
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfamoyl]benzoate
CID 2445690
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone
CID 64600412
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
N-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924321

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide?
The IUPAC name of 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide (CID 67255121) is 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide.
What is the SMILES notation for 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide?
The canonical SMILES for 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2C(C)=O)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide?
The InChIKey is SAMSCLGZTOIVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S/c1-13(24)17-5-3-4-6-20(17)29(25,26)23-15-7-8-18(19(10-15)27-2)28-16-9-14(21)11-22-12-16/h3-12,23H,1-2H3.
What are the key properties of 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide?
2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide has a molecular weight of 432.89 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide is sourced from PubChem (CID 67255121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).