5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide

C16H15N5O5S2 — CID 53115449

IUPAC5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H15N5O5S2/c17-27(23,24)13-8-6-11(7-9-13)19-15(22)14-10-18-20-16(14)28(25,26)21-12-4-2-1-3-5-12/h1-10,21H,(H,18,20)(H,19,22)(H2,17,23,24)
InChIKeyKBVYPUAZEWRZGA-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.11
Rot. Bonds6

About 5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide

5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 53115449) has the molecular formula C16H15N5O5S2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID53115449
Molecular FormulaC16H15N5O5S2
Molecular Weight421.46 g/mol
Exact Mass421.05
IUPAC Name5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H15N5O5S2/c17-27(23,24)13-8-6-11(7-9-13)19-15(22)14-10-18-20-16(14)28(25,26)21-12-4-2-1-3-5-12/h1-10,21H,(H,18,20)(H,19,22)(H2,17,23,24)
InChIKeyKBVYPUAZEWRZGA-UHFFFAOYSA-N
XLogP1.11
TPSA164.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115450
N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 171146147
N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115439
N-(4-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115470
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
CID 53115536
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115471
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
2-hydrazinyl-N-(4-sulfamoylphenyl)benzamide
CID 62234840
4-amino-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63104822
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115477

Frequently Asked Questions

What is the IUPAC name of 5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide (CID 53115449) is 5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KBVYPUAZEWRZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5S2/c17-27(23,24)13-8-6-11(7-9-13)19-15(22)14-10-18-20-16(14)28(25,26)21-12-4-2-1-3-5-12/h1-10,21H,(H,18,20)(H,19,22)(H2,17,23,24).
What are the key properties of 5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide?
5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).