4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide

C11H11N3O3S — CID 669141

IUPAC4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C11H11N3O3S/c1-17-9-3-5-10(6-4-9)18(15,16)14-11-12-7-2-8-13-11/h2-8H,1H3,(H,12,13,14)
InChIKeyYZXXIDIHLWMGKX-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.29
Rot. Bonds4

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

4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 669141) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID669141
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C11H11N3O3S/c1-17-9-3-5-10(6-4-9)18(15,16)14-11-12-7-2-8-13-11/h2-8H,1H3,(H,12,13,14)
InChIKeyYZXXIDIHLWMGKX-UHFFFAOYSA-N
XLogP1.29
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
2-[4-(3,4-Dimethoxy-benzenesulfonyl)-piperazin-1-yl]-pyrimidine
CID 3159096
4-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9115821
4-(2,2-Dimethylpropylamino)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-1-ynyl]pyrimidine-2-carbonitrile
CID 10367993
Sodium [3-(2-methoxyethoxy)benzene-1-sulfonyl](pyrimidin-2-yl)azanide
CID 23691021
2-{4-[(4-Ethoxyphenyl)sulfonyl]-1-piperazinyl}pyrimidine
CID 6469507
4-Methoxy-2-phenoxypyrimidine
CID 824706
4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669659
N-[4-(2-pyrimidinyloxy)phenyl]methanesulfonamide
CID 1487543
2-Phenoxypyrimidine
CID 5324768
US9597330, Example 9
CID 118893961
2-amino-N-[(2-methoxyphenyl)methyl]pyrimidine-5-sulfonamide
CID 16031289

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide (CID 669141) is 4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is YZXXIDIHLWMGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-17-9-3-5-10(6-4-9)18(15,16)14-11-12-7-2-8-13-11/h2-8H,1H3,(H,12,13,14).
What are the key properties of 4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide?
4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 265.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 669141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).