1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea

C18H17ClN4O3S — CID 2813986

IUPAC1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-12-3-9-15(10-4-12)27(25,26)22-18(24)20-17-11-16(21-23(17)2)13-5-7-14(19)8-6-13/h3-11H,1-2H3,(H2,20,22,24)
InChIKeyFLUIKMYBZKLQAN-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.56
Rot. Bonds4

About 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea

1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 2813986) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea
PubChem CID2813986
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-12-3-9-15(10-4-12)27(25,26)22-18(24)20-17-11-16(21-23(17)2)13-5-7-14(19)8-6-13/h3-11H,1-2H3,(H2,20,22,24)
InChIKeyFLUIKMYBZKLQAN-UHFFFAOYSA-N
XLogP3.56
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea (CID 2813986) is 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is FLUIKMYBZKLQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-12-3-9-15(10-4-12)27(25,26)22-18(24)20-17-11-16(21-23(17)2)13-5-7-14(19)8-6-13/h3-11H,1-2H3,(H2,20,22,24).
What are the key properties of 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 404.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2813986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).