1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea

C23H21N5O4S — CID 155815019

IUPAC1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea
SMILESCOc1ccc(-c2c(NC(=O)Nc3ccccc3)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H21N5O4S/c1-32-19-11-7-16(8-12-19)22-21(27-23(29)26-17-5-3-2-4-6-17)15-25-28(22)18-9-13-20(14-10-18)33(24,30)31/h2-15H,1H3,(H2,24,30,31)(H2,26,27,29)
InChIKeySWADANURJJDILL-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.84
Rot. Bonds6

About 1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea

1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea (PubChem CID 155815019) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea
PubChem CID155815019
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC Name1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea
SMILESCOc1ccc(-c2c(NC(=O)Nc3ccccc3)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H21N5O4S/c1-32-19-11-7-16(8-12-19)22-21(27-23(29)26-17-5-3-2-4-6-17)15-25-28(22)18-9-13-20(14-10-18)33(24,30)31/h2-15H,1H3,(H2,24,30,31)(H2,26,27,29)
InChIKeySWADANURJJDILL-UHFFFAOYSA-N
XLogP3.84
TPSA128.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
CID 155815132
1-(4-methoxyphenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea
CID 3731288
4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 22315541
4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide
CID 10734248
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10316466
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
[4-[[4-(benzenesulfonyloxy)phenyl]carbamoylamino]phenyl] 4-methoxybenzenesulfonate
CID 142536745
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea (CID 155815019) is 1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea is COc1ccc(-c2c(NC(=O)Nc3ccccc3)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea?
The InChIKey is SWADANURJJDILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-32-19-11-7-16(8-12-19)22-21(27-23(29)26-17-5-3-2-4-6-17)15-25-28(22)18-9-13-20(14-10-18)33(24,30)31/h2-15H,1H3,(H2,24,30,31)(H2,26,27,29).
What are the key properties of 1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea?
1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea has a molecular weight of 463.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea is sourced from PubChem (CID 155815019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).