3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide

C16H13BrN4O3S — CID 57411992

IUPAC3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24)
InChIKeyVGKUXHROALHUFQ-UHFFFAOYSA-N
MW421.28 g/mol
LogP2.05
Rot. Bonds4

About 3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide

3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide (PubChem CID 57411992) has the molecular formula C16H13BrN4O3S and a molecular weight of 421.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
PubChem CID57411992
Molecular FormulaC16H13BrN4O3S
Molecular Weight421.28 g/mol
Exact Mass419.99
IUPAC Name3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24)
InChIKeyVGKUXHROALHUFQ-UHFFFAOYSA-N
XLogP2.05
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide (CID 57411992) is 3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide is NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
The InChIKey is VGKUXHROALHUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24).
What are the key properties of 3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide has a molecular weight of 421.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57411992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).