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

C19H27ClN4O3S — CID 122499872

IUPAC1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C19H27ClN4O3S/c1-11(2)15-9-14(20)10-16(12(3)4)18(15)21-19(25)23-28(26,27)17-7-8-24(22-17)13(5)6/h7-13H,1-6H3,(H2,21,23,25)
InChIKeyYCDGFFKKOUHQTP-UHFFFAOYSA-N
MW426.97 g/mol
LogP4.87
Rot. Bonds6

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

1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 122499872) has the molecular formula C19H27ClN4O3S and a molecular weight of 426.97 g/mol. Its IUPAC name is 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
PubChem CID122499872
Molecular FormulaC19H27ClN4O3S
Molecular Weight426.97 g/mol
Exact Mass426.15
IUPAC Name1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C19H27ClN4O3S/c1-11(2)15-9-14(20)10-16(12(3)4)18(15)21-19(25)23-28(26,27)17-7-8-24(22-17)13(5)6/h7-13H,1-6H3,(H2,21,23,25)
InChIKeyYCDGFFKKOUHQTP-UHFFFAOYSA-N
XLogP4.87
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[(1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]urea
CID 138532543
1-(4-chloro-2-methoxy-6-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 134258260
1-[4-chloro-2-methoxy-6-(trifluoromethyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 122480656
1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea
CID 150914849
N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide
CID 155076509
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-(6-morpholin-4-ylpyrazin-2-yl)sulfonylurea
CID 137404286
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-fluoro-3-(1-hydroxyethyl)phenyl]sulfonylurea
CID 18461669
1-(3-acetyl-4-fluorophenyl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea
CID 18461600
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-methylazetidin-3-yl)sulfonylurea
CID 155121072
butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid
CID 161474044
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]sulfonylurea
CID 155076487

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The IUPAC name of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (CID 122499872) is 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.
What is the SMILES notation for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The canonical SMILES for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.
What is the InChIKey of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The InChIKey is YCDGFFKKOUHQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O3S/c1-11(2)15-9-14(20)10-16(12(3)4)18(15)21-19(25)23-28(26,27)17-7-8-24(22-17)13(5)6/h7-13H,1-6H3,(H2,21,23,25).
What are the key properties of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea has a molecular weight of 426.97 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 122499872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).