N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide

C20H17N3O3S — CID 46831488

IUPACN-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)cc(-c3ccnc(C#N)c3)c2)cc1
InChIInChI=1S/C20H17N3O3S/c1-14-9-16(15-7-8-22-18(11-15)13-21)12-17(10-14)23-27(24,25)20-5-3-19(26-2)4-6-20/h3-12,23H,1-2H3
InChIKeyVVLXPCJQBSACGO-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.74
Rot. Bonds5

About N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide

N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide (PubChem CID 46831488) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide
PubChem CID46831488
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)cc(-c3ccnc(C#N)c3)c2)cc1
InChIInChI=1S/C20H17N3O3S/c1-14-9-16(15-7-8-22-18(11-15)13-21)12-17(10-14)23-27(24,25)20-5-3-19(26-2)4-6-20/h3-12,23H,1-2H3
InChIKeyVVLXPCJQBSACGO-UHFFFAOYSA-N
XLogP3.74
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide
CID 46833322
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28553480
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide
CID 20910480
4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 25035913
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 51354314
4-methoxy-N-(3-methoxy-5-nitrophenyl)benzenesulfonamide
CID 841402
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide (CID 46831488) is N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C)cc(-c3ccnc(C#N)c3)c2)cc1.
What is the InChIKey of N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide?
The InChIKey is VVLXPCJQBSACGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-14-9-16(15-7-8-22-18(11-15)13-21)12-17(10-14)23-27(24,25)20-5-3-19(26-2)4-6-20/h3-12,23H,1-2H3.
What are the key properties of N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide?
N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 46831488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).