N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide

C18H13ClN4O3S — CID 59849944

IUPACN-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide
SMILESCc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C18H13ClN4O3S/c1-12-17(6-3-7-21-12)26-18-16(9-14(19)11-22-18)23-27(24,25)15-5-2-4-13(8-15)10-20/h2-9,11,23H,1H3
InChIKeyUVXNAZSULYYQCF-UHFFFAOYSA-N
MW400.85 g/mol
LogP3.90
Rot. Bonds5

About N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide

N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide (PubChem CID 59849944) has the molecular formula C18H13ClN4O3S and a molecular weight of 400.85 g/mol. Its IUPAC name is N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide
PubChem CID59849944
Molecular FormulaC18H13ClN4O3S
Molecular Weight400.85 g/mol
Exact Mass400.04
IUPAC NameN-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide
SMILESCc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C18H13ClN4O3S/c1-12-17(6-3-7-21-12)26-18-16(9-14(19)11-22-18)23-27(24,25)15-5-2-4-13(8-15)10-20/h2-9,11,23H,1H3
InChIKeyUVXNAZSULYYQCF-UHFFFAOYSA-N
XLogP3.90
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide
CID 59849992
2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide
CID 59849898
3-cyano-N-quinolin-8-ylbenzenesulfonamide
CID 8823700
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide
CID 3790516
N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide
CID 115910806
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate
CID 59849998
N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62105428
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide
CID 71190450
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide (CID 59849944) is N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide is Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide?
The InChIKey is UVXNAZSULYYQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3S/c1-12-17(6-3-7-21-12)26-18-16(9-14(19)11-22-18)23-27(24,25)15-5-2-4-13(8-15)10-20/h2-9,11,23H,1H3.
What are the key properties of N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide?
N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide has a molecular weight of 400.85 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide is sourced from PubChem (CID 59849944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).