N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide

C23H19N5O4S — CID 24541019

IUPACN-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19N5O4S/c29-22(26-27-23(30)21-15-20(24-25-21)16-7-3-1-4-8-16)17-11-13-18(14-12-17)28-33(31,32)19-9-5-2-6-10-19/h1-15,28H,(H,24,25)(H,26,29)(H,27,30)
InChIKeyLPDBNNXCJPSJHP-UHFFFAOYSA-N
MW461.50 g/mol
LogP2.95
Rot. Bonds6

About N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide

N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 24541019) has the molecular formula C23H19N5O4S and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID24541019
Molecular FormulaC23H19N5O4S
Molecular Weight461.50 g/mol
Exact Mass461.12
IUPAC NameN-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19N5O4S/c29-22(26-27-23(30)21-15-20(24-25-21)16-7-3-1-4-8-16)17-11-13-18(14-12-17)28-33(31,32)19-9-5-2-6-10-19/h1-15,28H,(H,24,25)(H,26,29)(H,27,30)
InChIKeyLPDBNNXCJPSJHP-UHFFFAOYSA-N
XLogP2.95
TPSA133.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 27689349
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 26823723
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 118947524
N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 46521478
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 40671857
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 18106352
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide (CID 24541019) is N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide is O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is LPDBNNXCJPSJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4S/c29-22(26-27-23(30)21-15-20(24-25-21)16-7-3-1-4-8-16)17-11-13-18(14-12-17)28-33(31,32)19-9-5-2-6-10-19/h1-15,28H,(H,24,25)(H,26,29)(H,27,30).
What are the key properties of N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 461.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 24541019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).