3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide

C12H12ClN3O3S — CID 122301667

IUPAC3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2cccc(Cl)c2C)cn1
InChIInChI=1S/C12H12ClN3O3S/c1-8-10(13)4-3-5-11(8)20(17,18)16-9-6-14-12(19-2)15-7-9/h3-7,16H,1-2H3
InChIKeyUMBAZIVYYOLGCQ-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.25
Rot. Bonds4

About 3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide

3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide (PubChem CID 122301667) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
PubChem CID122301667
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2cccc(Cl)c2C)cn1
InChIInChI=1S/C12H12ClN3O3S/c1-8-10(13)4-3-5-11(8)20(17,18)16-9-6-14-12(19-2)15-7-9/h3-7,16H,1-2H3
InChIKeyUMBAZIVYYOLGCQ-UHFFFAOYSA-N
XLogP2.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540546
3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
CID 21081335
3-chloro-N-(6-chloro-3-methoxypyrazin-2-yl)-2-methylbenzenesulfonamide
CID 10150058
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43605036
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide
CID 58885277
2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301669
3-chloro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122300152
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide (CID 122301667) is 3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide is COc1ncc(NS(=O)(=O)c2cccc(Cl)c2C)cn1.
What is the InChIKey of 3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is UMBAZIVYYOLGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-8-10(13)4-3-5-11(8)20(17,18)16-9-6-14-12(19-2)15-7-9/h3-7,16H,1-2H3.
What are the key properties of 3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide?
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 313.77 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 122301667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).