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

C23H19N5O4S — CID 27689349

IUPACN-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H19N5O4S/c29-22(26-27-23(30)21-15-20(24-25-21)16-8-3-1-4-9-16)17-10-7-11-18(14-17)28-33(31,32)19-12-5-2-6-13-19/h1-15,28H,(H,24,25)(H,26,29)(H,27,30)
InChIKeyGGOVEOCHBAIZKY-UHFFFAOYSA-N
MW461.50 g/mol
LogP2.95
Rot. Bonds6

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

N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 27689349) has the molecular formula C23H19N5O4S and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID27689349
Molecular FormulaC23H19N5O4S
Molecular Weight461.50 g/mol
Exact Mass461.12
IUPAC NameN-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H19N5O4S/c29-22(26-27-23(30)21-15-20(24-25-21)16-8-3-1-4-9-16)17-10-7-11-18(14-17)28-33(31,32)19-12-5-2-6-13-19/h1-15,28H,(H,24,25)(H,26,29)(H,27,30)
InChIKeyGGOVEOCHBAIZKY-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-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 24541019
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 118947524
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 40671857
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide (CID 27689349) is N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide is O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is GGOVEOCHBAIZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4S/c29-22(26-27-23(30)21-15-20(24-25-21)16-8-3-1-4-9-16)17-10-7-11-18(14-17)28-33(31,32)19-12-5-2-6-13-19/h1-15,28H,(H,24,25)(H,26,29)(H,27,30).
What are the key properties of N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
N-[3-[[(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-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 27689349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).