2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide

C12H10ClFN2O3S — CID 75392083

IUPAC2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C12H10ClFN2O3S/c1-19-8-2-3-9(13)12(6-8)20(17,18)16-11-4-5-15-7-10(11)14/h2-7H,1H3,(H,15,16)
InChIKeyCMEYMFNSFDPJLC-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide

2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide (PubChem CID 75392083) has the molecular formula C12H10ClFN2O3S and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide
PubChem CID75392083
Molecular FormulaC12H10ClFN2O3S
Molecular Weight316.74 g/mol
Exact Mass316.01
IUPAC Name2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C12H10ClFN2O3S/c1-19-8-2-3-9(13)12(6-8)20(17,18)16-11-4-5-15-7-10(11)14/h2-7H,1H3,(H,15,16)
InChIKeyCMEYMFNSFDPJLC-UHFFFAOYSA-N
XLogP2.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47408334
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide
CID 134589497
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
CID 107594685
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 107594731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide (CID 75392083) is 2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide is COc1ccc(Cl)c(S(=O)(=O)Nc2ccncc2F)c1.
What is the InChIKey of 2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide?
The InChIKey is CMEYMFNSFDPJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3S/c1-19-8-2-3-9(13)12(6-8)20(17,18)16-11-4-5-15-7-10(11)14/h2-7H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide?
2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide has a molecular weight of 316.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide is sourced from PubChem (CID 75392083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).