4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide

C19H14ClN3O3S — CID 71655016

IUPAC4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESCc1ccc(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C19H14ClN3O3S/c1-13-5-6-14(12-21)19(22-13)26-17-4-2-3-16(11-17)23-27(24,25)18-9-7-15(20)8-10-18/h2-11,23H,1H3
InChIKeyMUCQJIYWCFSWJY-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.51
Rot. Bonds5

About 4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide

4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide (PubChem CID 71655016) has the molecular formula C19H14ClN3O3S and a molecular weight of 399.86 g/mol. Its IUPAC name is 4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
PubChem CID71655016
Molecular FormulaC19H14ClN3O3S
Molecular Weight399.86 g/mol
Exact Mass399.04
IUPAC Name4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESCc1ccc(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C19H14ClN3O3S/c1-13-5-6-14(12-21)19(22-13)26-17-4-2-3-16(11-17)23-27(24,25)18-9-7-15(20)8-10-18/h2-11,23H,1H3
InChIKeyMUCQJIYWCFSWJY-UHFFFAOYSA-N
XLogP4.51
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide (CID 71655016) is 4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide is Cc1ccc(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1.
What is the InChIKey of 4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
The InChIKey is MUCQJIYWCFSWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S/c1-13-5-6-14(12-21)19(22-13)26-17-4-2-3-16(11-17)23-27(24,25)18-9-7-15(20)8-10-18/h2-11,23H,1H3.
What are the key properties of 4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide has a molecular weight of 399.86 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(3-cyano-6-methyl-2-pyridinyl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 71655016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).