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

C24H21N5O4S — CID 24502761

IUPACN-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H21N5O4S/c30-23(28-29-24(31)22-15-21(26-27-22)18-10-5-2-6-11-18)19-12-7-13-20(14-19)34(32,33)25-16-17-8-3-1-4-9-17/h1-15,25H,16H2,(H,26,27)(H,28,30)(H,29,31)
InChIKeyYVJPUXUTVQDPQK-UHFFFAOYSA-N
MW475.53 g/mol
LogP2.63
Rot. Bonds7

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

N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 24502761) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID24502761
Molecular FormulaC24H21N5O4S
Molecular Weight475.53 g/mol
Exact Mass475.13
IUPAC NameN-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H21N5O4S/c30-23(28-29-24(31)22-15-21(26-27-22)18-10-5-2-6-11-18)19-12-7-13-20(14-19)34(32,33)25-16-17-8-3-1-4-9-17/h1-15,25H,16H2,(H,26,27)(H,28,30)(H,29,31)
InChIKeyYVJPUXUTVQDPQK-UHFFFAOYSA-N
XLogP2.63
TPSA133.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 52.63
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-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 27690298
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 24541019
N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 27690215
N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26247665
3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
CID 4227371
N-benzyl-3-[[(3-methoxy-4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26587155
N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26826505
N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 39901705
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 24502761) is N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide is O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is YVJPUXUTVQDPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S/c30-23(28-29-24(31)22-15-21(26-27-22)18-10-5-2-6-11-18)19-12-7-13-20(14-19)34(32,33)25-16-17-8-3-1-4-9-17/h1-15,25H,16H2,(H,26,27)(H,28,30)(H,29,31).
What are the key properties of N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide?
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 475.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24502761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).