4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide

C19H17Cl2N3O6S2 — CID 71671387

IUPAC4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(Cl)c(OC)c3)n2)ccc1Cl
InChIInChI=1S/C19H17Cl2N3O6S2/c1-29-16-10-12(6-8-14(16)20)31(25,26)23-18-4-3-5-19(22-18)24-32(27,28)13-7-9-15(21)17(11-13)30-2/h3-11H,1-2H3,(H2,22,23,24)
InChIKeyZTRJIODLRUKDHW-UHFFFAOYSA-N
MW518.40 g/mol
LogP4.01
Rot. Bonds8

About 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide

4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide (PubChem CID 71671387) has the molecular formula C19H17Cl2N3O6S2 and a molecular weight of 518.40 g/mol. Its IUPAC name is 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
PubChem CID71671387
Molecular FormulaC19H17Cl2N3O6S2
Molecular Weight518.40 g/mol
Exact Mass516.99
IUPAC Name4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(Cl)c(OC)c3)n2)ccc1Cl
InChIInChI=1S/C19H17Cl2N3O6S2/c1-29-16-10-12(6-8-14(16)20)31(25,26)23-18-4-3-5-19(22-18)24-32(27,28)13-7-9-15(21)17(11-13)30-2/h3-11H,1-2H3,(H2,22,23,24)
InChIKeyZTRJIODLRUKDHW-UHFFFAOYSA-N
XLogP4.01
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide with MolForge

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Related Compounds

4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
4-chloro-N-(3,5-dimethylphenyl)-3-methoxybenzenesulfonamide
CID 15944074
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 116812631
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
CID 39845027
4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
CID 35203130
N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 59191064
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzenesulfonamide
CID 163349923
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide (CID 71671387) is 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(Cl)c(OC)c3)n2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide?
The InChIKey is ZTRJIODLRUKDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O6S2/c1-29-16-10-12(6-8-14(16)20)31(25,26)23-18-4-3-5-19(22-18)24-32(27,28)13-7-9-15(21)17(11-13)30-2/h3-11H,1-2H3,(H2,22,23,24).
What are the key properties of 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide?
4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide has a molecular weight of 518.40 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 71671387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).