N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide

C25H23N3O2S — CID 10895263

IUPACN-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide
SMILESC=CCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O2S/c1-2-9-21-14-16-24(17-15-21)31(29,30)27(20-22-10-5-3-6-11-22)25-18-19-26-28(25)23-12-7-4-8-13-23/h2-8,10-19H,1,9,20H2
InChIKeyUGYNCIUGKJJUTN-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.00
Rot. Bonds8

About N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide

N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide (PubChem CID 10895263) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide
PubChem CID10895263
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide
SMILESC=CCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O2S/c1-2-9-21-14-16-24(17-15-21)31(29,30)27(20-22-10-5-3-6-11-22)25-18-19-26-28(25)23-12-7-4-8-13-23/h2-8,10-19H,1,9,20H2
InChIKeyUGYNCIUGKJJUTN-UHFFFAOYSA-N
XLogP5.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 10245060
N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 447297
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
CID 10111849
4-Allyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 11013215
4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
CID 11100382
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 5497333
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 5508897
N''-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenyl-3-pyrazolyl)benzenecarboximidamide
CID 6216001
4-Dimethylamino-N-[4-(5-methylamino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
CID 44312707
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-methyl-benzenesulfonamide
CID 44312981
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-dimethylamino-benzenesulfonamide
CID 44313092
4-[5-[(E)-benzylideneamino]-4-cyanopyrazol-1-yl]benzenesulfonamide
CID 155521710

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide (CID 10895263) is N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide is C=CCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccnn2-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
The InChIKey is UGYNCIUGKJJUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-2-9-21-14-16-24(17-15-21)31(29,30)27(20-22-10-5-3-6-11-22)25-18-19-26-28(25)23-12-7-4-8-13-23/h2-8,10-19H,1,9,20H2.
What are the key properties of N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide has a molecular weight of 429.55 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 10895263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).