N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide

C19H21N3O2S — CID 99165832

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H21N3O2S/c1-4-16-10-12-18(13-11-16)25(23,24)21-19-14(2)20-22(15(19)3)17-8-6-5-7-9-17/h5-13,21H,4H2,1-3H3
InChIKeyNWLRSSVFDISLDC-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.85
Rot. Bonds5

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide (PubChem CID 99165832) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
PubChem CID99165832
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H21N3O2S/c1-4-16-10-12-18(13-11-16)25(23,24)21-19-14(2)20-22(15(19)3)17-8-6-5-7-9-17/h5-13,21H,4H2,1-3H3
InChIKeyNWLRSSVFDISLDC-UHFFFAOYSA-N
XLogP3.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide
CID 95702971
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 17490159
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
1-tert-butyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 86934783
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274
3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 22203263
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide (CID 99165832) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide?
The InChIKey is NWLRSSVFDISLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-16-10-12-18(13-11-16)25(23,24)21-19-14(2)20-22(15(19)3)17-8-6-5-7-9-17/h5-13,21H,4H2,1-3H3.
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 99165832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).