1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea

C14H15N3O4S — CID 2815591

IUPAC1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C14H15N3O4S/c1-10-3-6-12(7-4-10)22(19,20)17-14(18)16-11-5-8-13(21-2)15-9-11/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyLUHPQZVSQHWZDR-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.91
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea

1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 2815591) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID2815591
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C14H15N3O4S/c1-10-3-6-12(7-4-10)22(19,20)17-14(18)16-11-5-8-13(21-2)15-9-11/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyLUHPQZVSQHWZDR-UHFFFAOYSA-N
XLogP1.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-Ethyl-2-[(6-methoxy-3-pyridinyl)[(2-methylphenyl)sulfonyl]amino]-N-(3-pyridinylmethyl)acetamide
CID 9981404
[3H]Empa
CID 42604859
N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
CID 155534269
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
N1-[6-(3-pyridyloxy)-3-pyridyl]-4-methylbenzene-1-sulfonamide
CID 2800181
2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 934901
N-(6-methoxy-3-pyridinyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334703
3-(6-Methoxypyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]urea
CID 2359717
[(2-Methoxy-4-methylphenyl)sulfonyl]-3-pyridylamine
CID 47001115
5-cyano-2-methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 56684170
US10370333, Example I-2
CID 89775325
4-Methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 771985

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea (CID 2815591) is 1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea is COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is LUHPQZVSQHWZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-10-3-6-12(7-4-10)22(19,20)17-14(18)16-11-5-8-13(21-2)15-9-11/h3-9H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea?
1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 321.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2815591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).