5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C13H13ClN2O3S — CID 110727388

IUPAC5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C13H13ClN2O3S/c1-9-5-11(8-15-7-9)16-20(17,18)13-6-10(14)3-4-12(13)19-2/h3-8,16H,1-2H3
InChIKeyOXMYTGOJLYOIQZ-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide

5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 110727388) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID110727388
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C13H13ClN2O3S/c1-9-5-11(8-15-7-9)16-20(17,18)13-6-10(14)3-4-12(13)19-2/h3-8,16H,1-2H3
InChIKeyOXMYTGOJLYOIQZ-UHFFFAOYSA-N
XLogP2.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 56684237
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3794825
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
CID 70601990
CID 70601990
5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585840

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 110727388) is 5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(C)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is OXMYTGOJLYOIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-9-5-11(8-15-7-9)16-20(17,18)13-6-10(14)3-4-12(13)19-2/h3-8,16H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.85, 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-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110727388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).