1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

C15H19ClN4O4S — CID 134258260

IUPAC1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCOc1cc(Cl)cc(C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C15H19ClN4O4S/c1-9(2)20-6-5-13(18-20)25(22,23)19-15(21)17-14-10(3)7-11(16)8-12(14)24-4/h5-9H,1-4H3,(H2,17,19,21)
InChIKeyQIDCPJDRKLWVBF-UHFFFAOYSA-N
MW386.86 g/mol
LogP2.94
Rot. Bonds5

About 1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 134258260) has the molecular formula C15H19ClN4O4S and a molecular weight of 386.86 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
PubChem CID134258260
Molecular FormulaC15H19ClN4O4S
Molecular Weight386.86 g/mol
Exact Mass386.08
IUPAC Name1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCOc1cc(Cl)cc(C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C15H19ClN4O4S/c1-9(2)20-6-5-13(18-20)25(22,23)19-15(21)17-14-10(3)7-11(16)8-12(14)24-4/h5-9H,1-4H3,(H2,17,19,21)
InChIKeyQIDCPJDRKLWVBF-UHFFFAOYSA-N
XLogP2.94
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 122480656
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 122499872
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[(1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]urea
CID 138532543
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea
CID 142587969
4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide
CID 159357622
1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea
CID 165005856
methyl 3-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoylsulfamoyl]-1-propan-2-ylpyrazole-5-carboxylate
CID 170717791
1-(4-cyclopropyl-6-methylpyrimidin-2-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea;1-(4,6-ditert-butylpyrimidin-2-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea;1-(4,6-ditert-butylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4,6-dimethylpyrimidin-2-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
CID 161247437
1-[2-(1-cyclopropylethyl)-4-fluoro-6-propan-2-ylphenyl]-3-[(1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]urea
CID 166511696
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(3,6-dimethoxypyridazin-4-yl)sulfonylurea
CID 155076475
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
CID 147824215
4-(dimethylamino)-N-(1-propan-2-ylpyrazol-3-yl)sulfonylpyridin-1-ium-1-carboximidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
CID 165111153

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The IUPAC name of 1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (CID 134258260) is 1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The canonical SMILES for 1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is COc1cc(Cl)cc(C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.
What is the InChIKey of 1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The InChIKey is QIDCPJDRKLWVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O4S/c1-9(2)20-6-5-13(18-20)25(22,23)19-15(21)17-14-10(3)7-11(16)8-12(14)24-4/h5-9H,1-4H3,(H2,17,19,21).
What are the key properties of 1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea has a molecular weight of 386.86 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 134258260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).