3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide

C11H10ClN3O3S — CID 110756685

IUPAC3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccn2)cc1Cl
InChIInChI=1S/C11H10ClN3O3S/c1-18-10-4-3-8(7-9(10)12)19(16,17)15-11-13-5-2-6-14-11/h2-7H,1H3,(H,13,14,15)
InChIKeyRUMZUKHOKFHOSZ-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.94
Rot. Bonds4

About 3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide

3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 110756685) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID110756685
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccn2)cc1Cl
InChIInChI=1S/C11H10ClN3O3S/c1-18-10-4-3-8(7-9(10)12)19(16,17)15-11-13-5-2-6-14-11/h2-7H,1H3,(H,13,14,15)
InChIKeyRUMZUKHOKFHOSZ-UHFFFAOYSA-N
XLogP1.94
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 43323984
3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
CID 113098500
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122356165
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide (CID 110756685) is 3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ncccn2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is RUMZUKHOKFHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-18-10-4-3-8(7-9(10)12)19(16,17)15-11-13-5-2-6-14-11/h2-7H,1H3,(H,13,14,15).
What are the key properties of 3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide?
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 299.74 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 110756685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).