N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide

C18H19N3O2S — CID 36591359

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-13-4-10-18(11-5-13)24(22,23)20-16-6-8-17(9-7-16)21-15(3)12-14(2)19-21/h4-12,20H,1-3H3
InChIKeyYOSRKZJUOZHGPI-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.60
Rot. Bonds4

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 36591359) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID36591359
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-13-4-10-18(11-5-13)24(22,23)20-16-6-8-17(9-7-16)21-15(3)12-14(2)19-21/h4-12,20H,1-3H3
InChIKeyYOSRKZJUOZHGPI-UHFFFAOYSA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370933
N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide
CID 43069498
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 37093234
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371262
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122311802
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxybenzenesulfonamide
CID 122310436
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide (CID 36591359) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C)cc3C)cc2)cc1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is YOSRKZJUOZHGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-4-10-18(11-5-13)24(22,23)20-16-6-8-17(9-7-16)21-15(3)12-14(2)19-21/h4-12,20H,1-3H3.
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 36591359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).