1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea

C23H20N4O3S — CID 135231159

IUPAC1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
SMILESO=C(NCc1cn[nH]c1)Nc1ccc(S(=O)(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3S/c28-23(24-14-17-15-25-26-16-17)27-19-10-12-20(13-11-19)31(29,30)22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13,15-16H,14H2,(H,25,26)(H2,24,27,28)
InChIKeyNWLJYLIYBLEAJC-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.23
Rot. Bonds6

About 1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea

1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea (PubChem CID 135231159) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
PubChem CID135231159
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
SMILESO=C(NCc1cn[nH]c1)Nc1ccc(S(=O)(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3S/c28-23(24-14-17-15-25-26-16-17)27-19-10-12-20(13-11-19)31(29,30)22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13,15-16H,14H2,(H,25,26)(H2,24,27,28)
InChIKeyNWLJYLIYBLEAJC-UHFFFAOYSA-N
XLogP4.23
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The IUPAC name of 1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea (CID 135231159) is 1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The canonical SMILES for 1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea is O=C(NCc1cn[nH]c1)Nc1ccc(S(=O)(=O)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The InChIKey is NWLJYLIYBLEAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-23(24-14-17-15-25-26-16-17)27-19-10-12-20(13-11-19)31(29,30)22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13,15-16H,14H2,(H,25,26)(H2,24,27,28).
What are the key properties of 1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea has a molecular weight of 432.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea is sourced from PubChem (CID 135231159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).