1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

C15H16ClF3N4O4S — CID 122480656

IUPAC1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCOc1cc(Cl)cc(C(F)(F)F)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C15H16ClF3N4O4S/c1-8(2)23-5-4-12(21-23)28(25,26)22-14(24)20-13-10(15(17,18)19)6-9(16)7-11(13)27-3/h4-8H,1-3H3,(H2,20,22,24)
InChIKeyCANAXUKWFSERMU-UHFFFAOYSA-N
MW440.83 g/mol
LogP3.66
Rot. Bonds5

About 1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 122480656) has the molecular formula C15H16ClF3N4O4S and a molecular weight of 440.83 g/mol. Its IUPAC name is 1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
PubChem CID122480656
Molecular FormulaC15H16ClF3N4O4S
Molecular Weight440.83 g/mol
Exact Mass440.05
IUPAC Name1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCOc1cc(Cl)cc(C(F)(F)F)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C15H16ClF3N4O4S/c1-8(2)23-5-4-12(21-23)28(25,26)22-14(24)20-13-10(15(17,18)19)6-9(16)7-11(13)27-3/h4-8H,1-3H3,(H2,20,22,24)
InChIKeyCANAXUKWFSERMU-UHFFFAOYSA-N
XLogP3.66
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.83
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 134258260
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 122499872
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
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
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-(1-cyclopropylethyl)-4-fluoro-6-propan-2-ylphenyl]-3-[(1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]urea
CID 166511696
5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
CID 134259779
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-fluoro-2,6-di(propan-2-yl)phenyl]-3-(6-methoxypyridazin-3-yl)sulfonylurea
CID 137404026
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
CID 166487924
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(3,6-dimethoxypyridazin-4-yl)sulfonylurea
CID 155076475

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The IUPAC name of 1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (CID 122480656) is 1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.
What is the SMILES notation for 1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The canonical SMILES for 1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is COc1cc(Cl)cc(C(F)(F)F)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.
What is the InChIKey of 1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The InChIKey is CANAXUKWFSERMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O4S/c1-8(2)23-5-4-12(21-23)28(25,26)22-14(24)20-13-10(15(17,18)19)6-9(16)7-11(13)27-3/h4-8H,1-3H3,(H2,20,22,24).
What are the key properties of 1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea has a molecular weight of 440.83 g/mol, XLogP of 3.66, 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-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 122480656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).