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

C20H16ClN3O3S — CID 55896349

IUPAC5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C20H16ClN3O3S/c1-13-5-6-16(21)11-19(13)28(25,26)24-18-8-7-17(10-14(18)2)27-20-15(12-22)4-3-9-23-20/h3-11,24H,1-2H3
InChIKeyDVQMQLNLNJCWIA-UHFFFAOYSA-N
MW413.89 g/mol
LogP4.82
Rot. Bonds5

About 5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide

5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide (PubChem CID 55896349) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is 5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
PubChem CID55896349
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Name5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C20H16ClN3O3S/c1-13-5-6-16(21)11-19(13)28(25,26)24-18-8-7-17(10-14(18)2)27-20-15(12-22)4-3-9-23-20/h3-11,24H,1-2H3
InChIKeyDVQMQLNLNJCWIA-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

3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
CID 60532048
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
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
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
CID 55763946
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 60545133
3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763808
5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
CID 71934594
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide (CID 55896349) is 5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide is Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide?
The InChIKey is DVQMQLNLNJCWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c1-13-5-6-16(21)11-19(13)28(25,26)24-18-8-7-17(10-14(18)2)27-20-15(12-22)4-3-9-23-20/h3-11,24H,1-2H3.
What are the key properties of 5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide?
5-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 5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 55896349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).