5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide

C12H10Cl2N2O3S — CID 839351

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H10Cl2N2O3S/c1-19-10-4-2-8(13)6-11(10)20(17,18)16-12-5-3-9(14)7-15-12/h2-7H,1H3,(H,15,16)
InChIKeyTXTNYUUDJCJSCP-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.20
Rot. Bonds4

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide (PubChem CID 839351) has the molecular formula C12H10Cl2N2O3S and a molecular weight of 333.20 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
PubChem CID839351
Molecular FormulaC12H10Cl2N2O3S
Molecular Weight333.20 g/mol
Exact Mass331.98
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H10Cl2N2O3S/c1-19-10-4-2-8(13)6-11(10)20(17,18)16-12-5-3-9(14)7-15-12/h2-7H,1H3,(H,15,16)
InChIKeyTXTNYUUDJCJSCP-UHFFFAOYSA-N
XLogP3.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
CID 6473352
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide
CID 7574330
CID 70601990
CID 70601990
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113039632
5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044623
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 113011418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide (CID 839351) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide?
The InChIKey is TXTNYUUDJCJSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3S/c1-19-10-4-2-8(13)6-11(10)20(17,18)16-12-5-3-9(14)7-15-12/h2-7H,1H3,(H,15,16).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide has a molecular weight of 333.20 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 839351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).