N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide

C19H17ClN2O4S — CID 69201104

IUPACN-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)Nc1ccc(Oc2cncc(Cl)c2)cc1
InChIInChI=1S/C19H17ClN2O4S/c1-2-25-18-5-3-4-6-19(18)27(23,24)22-15-7-9-16(10-8-15)26-17-11-14(20)12-21-13-17/h3-13,22H,2H2,1H3
InChIKeyOKMYRIRFXNSHCL-UHFFFAOYSA-N
MW404.88 g/mol
LogP4.73
Rot. Bonds7

About N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide

N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide (PubChem CID 69201104) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide
PubChem CID69201104
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC NameN-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)Nc1ccc(Oc2cncc(Cl)c2)cc1
InChIInChI=1S/C19H17ClN2O4S/c1-2-25-18-5-3-4-6-19(18)27(23,24)22-15-7-9-16(10-8-15)26-17-11-14(20)12-21-13-17/h3-13,22H,2H2,1H3
InChIKeyOKMYRIRFXNSHCL-UHFFFAOYSA-N
XLogP4.73
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide
CID 67255121
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841
5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
CID 138046171
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760
2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
CID 91629175
2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 71525044
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
CID 61125908
2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301745
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
2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide
CID 71206558
N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]pyridine-3-sulfonamide
CID 23515243

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide?
The IUPAC name of N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide (CID 69201104) is N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide is CCOc1ccccc1S(=O)(=O)Nc1ccc(Oc2cncc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide?
The InChIKey is OKMYRIRFXNSHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-2-25-18-5-3-4-6-19(18)27(23,24)22-15-7-9-16(10-8-15)26-17-11-14(20)12-21-13-17/h3-13,22H,2H2,1H3.
What are the key properties of N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide?
N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide has a molecular weight of 404.88 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 69201104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).