3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide

C11H9Cl2N3O3S — CID 116798836

IUPAC3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccnc(Cl)n2)cc1Cl
InChIInChI=1S/C11H9Cl2N3O3S/c1-19-9-3-2-7(6-8(9)12)20(17,18)16-10-4-5-14-11(13)15-10/h2-6H,1H3,(H,14,15,16)
InChIKeyWHGBQLAYRHVOKL-UHFFFAOYSA-N
MW334.18 g/mol
LogP2.59
Rot. Bonds4

About 3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide

3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide (PubChem CID 116798836) has the molecular formula C11H9Cl2N3O3S and a molecular weight of 334.18 g/mol. Its IUPAC name is 3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
PubChem CID116798836
Molecular FormulaC11H9Cl2N3O3S
Molecular Weight334.18 g/mol
Exact Mass332.97
IUPAC Name3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccnc(Cl)n2)cc1Cl
InChIInChI=1S/C11H9Cl2N3O3S/c1-19-9-3-2-7(6-8(9)12)20(17,18)16-10-4-5-14-11(13)15-10/h2-6H,1H3,(H,14,15,16)
InChIKeyWHGBQLAYRHVOKL-UHFFFAOYSA-N
XLogP2.59
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794803
N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 116798867
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 113044338
4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122356165
5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
CID 116798900
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide (CID 116798836) is 3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccnc(Cl)n2)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide?
The InChIKey is WHGBQLAYRHVOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O3S/c1-19-9-3-2-7(6-8(9)12)20(17,18)16-10-4-5-14-11(13)15-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide?
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide has a molecular weight of 334.18 g/mol, XLogP of 2.59, 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-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 116798836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).