3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide

C20H16ClN3O3S — CID 60532048

IUPAC3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C20H16ClN3O3S/c1-13-11-16(27-20-15(12-22)5-4-10-23-20)8-9-18(13)24-28(25,26)19-7-3-6-17(21)14(19)2/h3-11,24H,1-2H3
InChIKeyLSPNPQGNTVENDW-UHFFFAOYSA-N
MW413.89 g/mol
LogP4.82
Rot. Bonds5

About 3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide

3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide (PubChem CID 60532048) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is 3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
PubChem CID60532048
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Name3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C20H16ClN3O3S/c1-13-11-16(27-20-15(12-22)5-4-10-23-20)8-9-18(13)24-28(25,26)19-7-3-6-17(21)14(19)2/h3-11,24H,1-2H3
InChIKeyLSPNPQGNTVENDW-UHFFFAOYSA-N
XLogP4.82
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
CID 55896349
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide
CID 60532006
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 60532096
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56560913
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
CID 55763946
3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763808
5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide
CID 55763912
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46428401
2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
CID 43212993
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
CID 71934594
7-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 55647529

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide (CID 60532048) is 3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide is Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide?
The InChIKey is LSPNPQGNTVENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c1-13-11-16(27-20-15(12-22)5-4-10-23-20)8-9-18(13)24-28(25,26)19-7-3-6-17(21)14(19)2/h3-11,24H,1-2H3.
What are the key properties of 3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide?
3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide has a molecular weight of 413.89 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 60532048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).