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

C18H19N3O3S — CID 51284216

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C18H19N3O3S/c1-13-18(14(2)21(19-13)15-7-5-4-6-8-15)20-25(22,23)17-11-9-16(24-3)10-12-17/h4-12,20H,1-3H3
InChIKeyCPOCRZKGQXDDEV-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.30
Rot. Bonds5

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

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide (PubChem CID 51284216) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
PubChem CID51284216
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C18H19N3O3S/c1-13-18(14(2)21(19-13)15-7-5-4-6-8-15)20-25(22,23)17-11-9-16(24-3)10-12-17/h4-12,20H,1-3H3
InChIKeyCPOCRZKGQXDDEV-UHFFFAOYSA-N
XLogP3.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-ethylbenzenesulfonamide
CID 99165832
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 108780976
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17376527
cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide
CID 95702971
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122303656
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide
CID 67663058
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide (CID 51284216) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The InChIKey is CPOCRZKGQXDDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-18(14(2)21(19-13)15-7-5-4-6-8-15)20-25(22,23)17-11-9-16(24-3)10-12-17/h4-12,20H,1-3H3.
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 51284216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).