3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide

C18H18N4O2S — CID 8004148

IUPAC3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C18H18N4O2S/c1-13-18(14(2)21-20-13)25(23,24)22-17-8-5-6-15(12-17)9-10-16-7-3-4-11-19-16/h3-12,22H,1-2H3,(H,20,21)/b10-9+
InChIKeySMGPMJFGLKPYFX-MDZDMXLPSA-N
MW354.44 g/mol
LogP3.39
Rot. Bonds5

About 3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 8004148) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID8004148
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C18H18N4O2S/c1-13-18(14(2)21-20-13)25(23,24)22-17-8-5-6-15(12-17)9-10-16-7-3-4-11-19-16/h3-12,22H,1-2H3,(H,20,21)/b10-9+
InChIKeySMGPMJFGLKPYFX-MDZDMXLPSA-N
XLogP3.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 24656443
2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 6224152
4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 40664221
methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate
CID 24510150
3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 7938889
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
CID 126460275
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122285205
3,5-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1H-pyrazole-4-sulfonamide
CID 122317317
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125
N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019470

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide (CID 8004148) is 3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1.
What is the InChIKey of 3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is SMGPMJFGLKPYFX-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-18(14(2)21-20-13)25(23,24)22-17-8-5-6-15(12-17)9-10-16-7-3-4-11-19-16/h3-12,22H,1-2H3,(H,20,21)/b10-9+.
What are the key properties of 3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 8004148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).