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

C13H17N3O3S — CID 61248809

IUPAC5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C13H17N3O3S/c1-3-8-19-12-7-5-4-6-11(12)16-20(17,18)13-9-14-15-10(13)2/h4-7,9,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyRKBIUPYUGAUWCQ-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.31
Rot. Bonds6

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

5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61248809) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61248809
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C13H17N3O3S/c1-3-8-19-12-7-5-4-6-11(12)16-20(17,18)13-9-14-15-10(13)2/h4-7,9,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyRKBIUPYUGAUWCQ-UHFFFAOYSA-N
XLogP2.31
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61274811
5-methyl-N-(3-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61273624
N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 102846902
2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
CID 7938551
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60910701
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
N-[2-(1-chloroethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65031617
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735
3,4-dimethyl-5-[(2-propoxyphenyl)sulfamoyl]benzoic acid
CID 9238408

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide (CID 61248809) is 5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide is CCCOc1ccccc1NS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of 5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is RKBIUPYUGAUWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-8-19-12-7-5-4-6-11(12)16-20(17,18)13-9-14-15-10(13)2/h4-7,9,16H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61248809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).