1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea

C11H12FN5O3S — CID 61132441

IUPAC1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN5O3S/c1-17-6-9(21(13,19)20)10(16-17)15-11(18)14-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,19,20)(H2,14,15,16,18)
InChIKeySJQQHIMYSUZTTR-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.85
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea

1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea (PubChem CID 61132441) has the molecular formula C11H12FN5O3S and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
PubChem CID61132441
Molecular FormulaC11H12FN5O3S
Molecular Weight313.31 g/mol
Exact Mass313.06
IUPAC Name1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN5O3S/c1-17-6-9(21(13,19)20)10(16-17)15-11(18)14-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,19,20)(H2,14,15,16,18)
InChIKeySJQQHIMYSUZTTR-UHFFFAOYSA-N
XLogP0.85
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132750
2,4-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129231
3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61131914
3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 107953731
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132638
1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 61131275
2-methoxy-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129046
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038
N-(1-methyl-4-sulfamoylpyrazol-3-yl)piperidine-1-carboxamide
CID 79155036
2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129233

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea (CID 61132441) is 1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea is Cn1cc(S(N)(=O)=O)c(NC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
The InChIKey is SJQQHIMYSUZTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O3S/c1-17-6-9(21(13,19)20)10(16-17)15-11(18)14-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,19,20)(H2,14,15,16,18).
What are the key properties of 1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea has a molecular weight of 313.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea is sourced from PubChem (CID 61132441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).