5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide

C19H20ClN5O3S — CID 25199290

IUPAC5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCNCCNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5O3S/c1-21-11-12-22-19(26)17-13-23-25(15-5-3-2-4-6-15)18(17)24-29(27,28)16-9-7-14(20)8-10-16/h2-10,13,21,24H,11-12H2,1H3,(H,22,26)
InChIKeyUUSSYEBCQSKOTR-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.28
Rot. Bonds8

About 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide

5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 25199290) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID25199290
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC Name5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCNCCNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5O3S/c1-21-11-12-22-19(26)17-13-23-25(15-5-3-2-4-6-15)18(17)24-29(27,28)16-9-7-14(20)8-10-16/h2-10,13,21,24H,11-12H2,1H3,(H,22,26)
InChIKeyUUSSYEBCQSKOTR-UHFFFAOYSA-N
XLogP2.28
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399909
3-Anilino-1-[1-(3-chlorophenyl)sulfonyl-4-(cyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 90331845
3-[4-[(4-chlorophenyl)methylsulfamoyl]anilino]-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 91819675
3-[4-[(2-chlorophenyl)methylsulfamoyl]anilino]-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 91819676
4-(5-(4-Chlorophenyl)-6-methyl-4-oxo-4,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 44442431
4-chloro-N'-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}benzenesulfonohydrazide
CID 3758448
2-[1-(4-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide
CID 5310010
3-(5-(4-Chlorophenyl)-6-methyl-4-oxo-4,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 23655076
5-amino-N-[2-[[ethyl-(4-fluorophenyl)sulfonylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 45268475
N-hexan-3-yl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392882
N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392871
N-cyclohexyl-N-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392872

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide (CID 25199290) is 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide is CNCCNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is UUSSYEBCQSKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-21-11-12-22-19(26)17-13-23-25(15-5-3-2-4-6-15)18(17)24-29(27,28)16-9-7-14(20)8-10-16/h2-10,13,21,24H,11-12H2,1H3,(H,22,26).
What are the key properties of 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 433.92 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25199290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).