1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide

C11H13N3O3S — CID 114798717

IUPAC1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide
SMILESCOc1cccc(-n2ncc(S(N)(=O)=O)c2C)c1
InChIInChI=1S/C11H13N3O3S/c1-8-11(18(12,15)16)7-13-14(8)9-4-3-5-10(6-9)17-2/h3-7H,1-2H3,(H2,12,15,16)
InChIKeyHUFBKPFOGQSVNT-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.84
Rot. Bonds3

About 1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide

1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide (PubChem CID 114798717) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide
PubChem CID114798717
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide
SMILESCOc1cccc(-n2ncc(S(N)(=O)=O)c2C)c1
InChIInChI=1S/C11H13N3O3S/c1-8-11(18(12,15)16)7-13-14(8)9-4-3-5-10(6-9)17-2/h3-7H,1-2H3,(H2,12,15,16)
InChIKeyHUFBKPFOGQSVNT-UHFFFAOYSA-N
XLogP0.84
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
N-[[1-(3-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82527947
4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117232958
3-methoxybenzenesulfonamide
CID 14763060
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
N-(3-methoxyphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 43022494
3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide
CID 171059481
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55678173
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972
2-(3-methoxyphenyl)triazol-4-amine
CID 82404083

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide (CID 114798717) is 1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide is COc1cccc(-n2ncc(S(N)(=O)=O)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide?
The InChIKey is HUFBKPFOGQSVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-11(18(12,15)16)7-13-14(8)9-4-3-5-10(6-9)17-2/h3-7H,1-2H3,(H2,12,15,16).
What are the key properties of 1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide?
1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 114798717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).