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

C19H19N3O2S — CID 10948187

IUPACN-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide
SMILESC=CCc1ccc(S(=O)(=O)N(C)c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-3-7-16-10-12-18(13-11-16)25(23,24)21(2)19-14-15-20-22(19)17-8-5-4-6-9-17/h3-6,8-15H,1,7H2,2H3
InChIKeyGAGXHBRIMKMDCQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.43
Rot. Bonds6

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

N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide (PubChem CID 10948187) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide
PubChem CID10948187
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide
SMILESC=CCc1ccc(S(=O)(=O)N(C)c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-3-7-16-10-12-18(13-11-16)25(23,24)21(2)19-14-15-20-22(19)17-8-5-4-6-9-17/h3-6,8-15H,1,7H2,2H3
InChIKeyGAGXHBRIMKMDCQ-UHFFFAOYSA-N
XLogP3.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide (CID 10948187) is N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide is C=CCc1ccc(S(=O)(=O)N(C)c2ccnn2-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
The InChIKey is GAGXHBRIMKMDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-7-16-10-12-18(13-11-16)25(23,24)21(2)19-14-15-20-22(19)17-8-5-4-6-9-17/h3-6,8-15H,1,7H2,2H3.
What are the key properties of N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 10948187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).