2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide

C19H13Cl2N3O3S — CID 134588822

IUPAC2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc(C#N)c(Cl)n3)cc2)c1
InChIInChI=1S/C19H13Cl2N3O3S/c1-27-15-7-8-16(20)18(10-15)28(25,26)24-14-5-2-12(3-6-14)17-9-4-13(11-22)19(21)23-17/h2-10,24H,1H3
InChIKeyAYRVDAJHBVUMSM-UHFFFAOYSA-N
MW434.30 g/mol
LogP4.74
Rot. Bonds5

About 2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide

2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide (PubChem CID 134588822) has the molecular formula C19H13Cl2N3O3S and a molecular weight of 434.30 g/mol. Its IUPAC name is 2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide
PubChem CID134588822
Molecular FormulaC19H13Cl2N3O3S
Molecular Weight434.30 g/mol
Exact Mass433.01
IUPAC Name2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc(C#N)c(Cl)n3)cc2)c1
InChIInChI=1S/C19H13Cl2N3O3S/c1-27-15-7-8-16(20)18(10-15)28(25,26)24-14-5-2-12(3-6-14)17-9-4-13(11-22)19(21)23-17/h2-10,24H,1H3
InChIKeyAYRVDAJHBVUMSM-UHFFFAOYSA-N
XLogP4.74
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.30
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[4-[(2-chloro-5-methoxyphenyl)sulfanylamino]phenyl]pyridine-3-carbonitrile
CID 142371075
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide
CID 17403113
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4103073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide (CID 134588822) is 2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide is COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc(C#N)c(Cl)n3)cc2)c1.
What is the InChIKey of 2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide?
The InChIKey is AYRVDAJHBVUMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3S/c1-27-15-7-8-16(20)18(10-15)28(25,26)24-14-5-2-12(3-6-14)17-9-4-13(11-22)19(21)23-17/h2-10,24H,1H3.
What are the key properties of 2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide?
2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide has a molecular weight of 434.30 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(6-chloro-5-cyano-2-pyridinyl)phenyl]-5-methoxybenzenesulfonamide is sourced from PubChem (CID 134588822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).