N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide

C20H22N4O3S — CID 25442987

IUPACN-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C20H22N4O3S/c1-3-23(4-2)28(26,27)19-8-5-7-17(15-19)22-20(25)16-9-11-18(12-10-16)24-14-6-13-21-24/h5-15H,3-4H2,1-2H3,(H,22,25)
InChIKeyHRGUNHPHMCVWJX-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.16
Rot. Bonds7

About N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide

N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide (PubChem CID 25442987) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide
PubChem CID25442987
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C20H22N4O3S/c1-3-23(4-2)28(26,27)19-8-5-7-17(15-19)22-20(25)16-9-11-18(12-10-16)24-14-6-13-21-24/h5-15H,3-4H2,1-2H3,(H,22,25)
InChIKeyHRGUNHPHMCVWJX-UHFFFAOYSA-N
XLogP3.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide
CID 55816737
4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide
CID 46411605
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55528695
4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 37044281
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide (CID 25442987) is N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is HRGUNHPHMCVWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-23(4-2)28(26,27)19-8-5-7-17(15-19)22-20(25)16-9-11-18(12-10-16)24-14-6-13-21-24/h5-15H,3-4H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide?
N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 398.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 25442987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).