5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide

C12H11ClN2O3S — CID 3668507

IUPAC5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C12H11ClN2O3S/c1-18-11-5-4-9(13)7-12(11)19(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3
InChIKeyOYIUXYQRQGNVMN-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.54
Rot. Bonds4

About 5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide

5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 3668507) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID3668507
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C12H11ClN2O3S/c1-18-11-5-4-9(13)7-12(11)19(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3
InChIKeyOYIUXYQRQGNVMN-UHFFFAOYSA-N
XLogP2.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-((5-Chloro-2-methoxyphenyl)sulfonamido)nicotinamide
CID 89768286
4-Chloro-3-methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 609536
3,4-Dimethoxy-N-pyridin-3-yl-benzenesulfonamide
CID 778317
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
5-fluoro-2-methoxy-N-(4-pyridinyl)benzenesulfonamide
CID 850011
4-(3-Chlorophenoxy)-3-pyridinesulfonamide
CID 901268
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 970502
3-Chloro-4-methoxy-N-pyridin-4-ylmethyl-benzenesulfonamide
CID 974271
5-chloro-2-ethoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 1106588
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
2-(5-Chloro-2-methoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493572
1-(2-chlorophenyl)-N-(6-methoxypyridin-3-yl)methanesulfonamide
CID 715023

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide (CID 3668507) is 5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is OYIUXYQRQGNVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-18-11-5-4-9(13)7-12(11)19(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3.
What are the key properties of 5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 3668507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).