N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide

C11H9ClFN3O3S — CID 134589497

IUPACN-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide
SMILESCOc1ccc(F)c(S(=O)(=O)Nc2cnc(Cl)nc2)c1
InChIInChI=1S/C11H9ClFN3O3S/c1-19-8-2-3-9(13)10(4-8)20(17,18)16-7-5-14-11(12)15-6-7/h2-6,16H,1H3
InChIKeyIOBVWQIXESMNAA-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.08
Rot. Bonds4

About N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide

N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide (PubChem CID 134589497) has the molecular formula C11H9ClFN3O3S and a molecular weight of 317.73 g/mol. Its IUPAC name is N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide
PubChem CID134589497
Molecular FormulaC11H9ClFN3O3S
Molecular Weight317.73 g/mol
Exact Mass317.00
IUPAC NameN-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide
SMILESCOc1ccc(F)c(S(=O)(=O)Nc2cnc(Cl)nc2)c1
InChIInChI=1S/C11H9ClFN3O3S/c1-19-8-2-3-9(13)10(4-8)20(17,18)16-7-5-14-11(12)15-6-7/h2-6,16H,1H3
InChIKeyIOBVWQIXESMNAA-UHFFFAOYSA-N
XLogP2.08
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
CID 122302105
2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide
CID 75392083
1-fluoro-4-methoxy-2-methylsulfonylbenzene
CID 69311916
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47408334
N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 122302182
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 61112072
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide?
The IUPAC name of N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide (CID 134589497) is N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide is COc1ccc(F)c(S(=O)(=O)Nc2cnc(Cl)nc2)c1.
What is the InChIKey of N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide?
The InChIKey is IOBVWQIXESMNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O3S/c1-19-8-2-3-9(13)10(4-8)20(17,18)16-7-5-14-11(12)15-6-7/h2-6,16H,1H3.
What are the key properties of N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide?
N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide has a molecular weight of 317.73 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide is sourced from PubChem (CID 134589497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).