1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea

C23H20N4O3S — CID 166203989

IUPAC1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea
SMILESO=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)Nc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C23H20N4O3S/c28-23(26-21-15-24-27-22(21)17-9-3-1-4-10-17)25-20-14-8-7-11-18(20)16-31(29,30)19-12-5-2-6-13-19/h1-15H,16H2,(H,24,27)(H2,25,26,28)
InChIKeyMPPXAYDWKRGVNR-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.69
Rot. Bonds6

About 1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea

1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea (PubChem CID 166203989) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea
PubChem CID166203989
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea
SMILESO=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)Nc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C23H20N4O3S/c28-23(26-21-15-24-27-22(21)17-9-3-1-4-10-17)25-20-14-8-7-11-18(20)16-31(29,30)19-12-5-2-6-13-19/h1-15H,16H2,(H,24,27)(H2,25,26,28)
InChIKeyMPPXAYDWKRGVNR-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(benzenesulfonyl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223385
1-(1H-pyrazol-4-ylmethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]urea
CID 135231329
1-[4-(benzenesulfonyl)phenyl]-3-(1H-pyrazol-3-ylmethyl)urea
CID 66610553
4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide
CID 155811826
1-[(4-methylsulfonylphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47252542
N-[[2-(methylsulfonylmethyl)phenyl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxamide
CID 132315019
1-(4-Fluorophenyl)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
CID 155805671
1-[(4-methylsulfonylphenyl)-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 67976190
1-[(4-methylsulfonylphenyl)-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 89954675
1-[4-[(4-fluorophenyl)methylsulfonyl]phenyl]-3-(1H-pyrazol-4-yl)urea
CID 135222905
1-[4-[2-(3-fluorophenyl)phenyl]sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223157
1-[4-[2-(2-fluorophenyl)phenyl]sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223219

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea (CID 166203989) is 1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea is O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)Nc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea?
The InChIKey is MPPXAYDWKRGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-23(26-21-15-24-27-22(21)17-9-3-1-4-10-17)25-20-14-8-7-11-18(20)16-31(29,30)19-12-5-2-6-13-19/h1-15H,16H2,(H,24,27)(H2,25,26,28).
What are the key properties of 1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea?
1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea has a molecular weight of 432.51 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 166203989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).