N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H13N3O3S — CID 54929959

IUPACN-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H13N3O3S/c1-8-11(7-12-13-8)18(15,16)14-9-5-3-4-6-10(9)17-2/h3-7,14H,1-2H3,(H,12,13)
InChIKeyRNVCWIJVEGQEJR-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.53
Rot. Bonds4

About N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54929959) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54929959
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H13N3O3S/c1-8-11(7-12-13-8)18(15,16)14-9-5-3-4-6-10(9)17-2/h3-7,14H,1-2H3,(H,12,13)
InChIKeyRNVCWIJVEGQEJR-UHFFFAOYSA-N
XLogP1.53
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61274811
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61248809
N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912107
N-[2-(1-chloroethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65031617
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 102846902
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60910701
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 61275775
N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911353

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54929959) is N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is COc1ccccc1NS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RNVCWIJVEGQEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-11(7-12-13-8)18(15,16)14-9-5-3-4-6-10(9)17-2/h3-7,14H,1-2H3,(H,12,13).
What are the key properties of N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).