5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide

C18H14Cl2N2O3S — CID 56684237

IUPAC5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H14Cl2N2O3S/c1-25-17-6-5-15(20)9-18(17)26(23,24)22-16-8-13(10-21-11-16)12-3-2-4-14(19)7-12/h2-11,22H,1H3
InChIKeyNHXXWAGLSRRTSG-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.86
Rot. Bonds5

About 5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide

5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide (PubChem CID 56684237) has the molecular formula C18H14Cl2N2O3S and a molecular weight of 409.29 g/mol. Its IUPAC name is 5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide
PubChem CID56684237
Molecular FormulaC18H14Cl2N2O3S
Molecular Weight409.29 g/mol
Exact Mass408.01
IUPAC Name5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H14Cl2N2O3S/c1-25-17-6-5-15(20)9-18(17)26(23,24)22-16-8-13(10-21-11-16)12-3-2-4-14(19)7-12/h2-11,22H,1H3
InChIKeyNHXXWAGLSRRTSG-UHFFFAOYSA-N
XLogP4.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418448
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
CID 70601990
CID 70601990
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
CID 56684295
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide
CID 121031215

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide (CID 56684237) is 5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide?
The InChIKey is NHXXWAGLSRRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S/c1-25-17-6-5-15(20)9-18(17)26(23,24)22-16-8-13(10-21-11-16)12-3-2-4-14(19)7-12/h2-11,22H,1H3.
What are the key properties of 5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide has a molecular weight of 409.29 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 56684237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).