N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide

C13H17N3O3S — CID 136558873

IUPACN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1n[nH]c(C)c1C
InChIInChI=1S/C13H17N3O3S/c1-9-10(2)15-16-11(9)8-14-20(17,18)13-7-5-4-6-12(13)19-3/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyOKLULCUYOHTRES-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.51
Rot. Bonds5

About N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide

N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 136558873) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide
PubChem CID136558873
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1n[nH]c(C)c1C
InChIInChI=1S/C13H17N3O3S/c1-9-10(2)15-16-11(9)8-14-20(17,18)13-7-5-4-6-12(13)19-3/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyOKLULCUYOHTRES-UHFFFAOYSA-N
XLogP1.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 51320344
2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177465

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide (CID 136558873) is N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCc1n[nH]c(C)c1C.
What is the InChIKey of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is OKLULCUYOHTRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-10(2)15-16-11(9)8-14-20(17,18)13-7-5-4-6-12(13)19-3/h4-7,14H,8H2,1-3H3,(H,15,16).
What are the key properties of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide?
N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 136558873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).