N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide

C18H13ClN2O4S — CID 60589032

IUPACN-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C18H13ClN2O4S/c19-14-5-9-17(10-6-14)26(23,24)21-18(22)13-3-7-15(8-4-13)25-16-2-1-11-20-12-16/h1-12H,(H,21,22)
InChIKeyMECQEFQXIBQFRS-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.65
Rot. Bonds5

About N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide

N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide (PubChem CID 60589032) has the molecular formula C18H13ClN2O4S and a molecular weight of 388.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
PubChem CID60589032
Molecular FormulaC18H13ClN2O4S
Molecular Weight388.83 g/mol
Exact Mass388.03
IUPAC NameN-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C18H13ClN2O4S/c19-14-5-9-17(10-6-14)26(23,24)21-18(22)13-3-7-15(8-4-13)25-16-2-1-11-20-12-16/h1-12H,(H,21,22)
InChIKeyMECQEFQXIBQFRS-UHFFFAOYSA-N
XLogP3.65
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenoxy-N-(4-phenylphenyl)sulfonylbenzamide
CID 53473228
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide
CID 144935099
4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide
CID 1117984
4-pyridin-3-yloxybenzoic acid
CID 22261667
N-[4-[(4-pyridin-3-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 1332367
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
4-[(4-chlorophenyl)sulfonylcarbamoyl]benzenesulfinate
CID 23213583
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide
CID 57190402
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
CID 110839438
N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 10695579

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide (CID 60589032) is N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide?
The InChIKey is MECQEFQXIBQFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4S/c19-14-5-9-17(10-6-14)26(23,24)21-18(22)13-3-7-15(8-4-13)25-16-2-1-11-20-12-16/h1-12H,(H,21,22).
What are the key properties of N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide?
N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide has a molecular weight of 388.83 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide is sourced from PubChem (CID 60589032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).