N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide

C12H11ClN2O3S — CID 759583

IUPACN-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C12H11ClN2O3S/c1-18-10-3-5-11(6-4-10)19(16,17)15-12-7-2-9(13)8-14-12/h2-8H,1H3,(H,14,15)
InChIKeyOSFSOFLPGRISHG-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.54
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide

N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide (PubChem CID 759583) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
PubChem CID759583
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC NameN-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C12H11ClN2O3S/c1-18-10-3-5-11(6-4-10)19(16,17)15-12-7-2-9(13)8-14-12/h2-8H,1H3,(H,14,15)
InChIKeyOSFSOFLPGRISHG-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

3-Chloro-4-methoxy-N-pyridin-4-ylmethyl-benzenesulfonamide
CID 974271
N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225
N-(5-Chloro-pyridin-2-yl)-4-ethoxy-2,5-dimethyl-benzenesulfonamide
CID 653931
N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2315879
5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 3668507
3-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155525158
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
N-(Pyridin-2-yl) arylsulfonamide, 14
CID 3857714
N-(5-Chloro-pyridin-2-yl)-4-methoxy-2,3-dimethyl-benzenesulfonamide
CID 646091
N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
CID 801380
3-chloro-4-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 974269
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide
CID 1476492

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide (CID 759583) is N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The InChIKey is OSFSOFLPGRISHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-18-10-3-5-11(6-4-10)19(16,17)15-12-7-2-9(13)8-14-12/h2-8H,1H3,(H,14,15).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide 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 N-(5-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 759583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).