N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide

C11H11N3O3S — CID 106912960

IUPACN-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cccc(C=O)c2)cn1
InChIInChI=1S/C11H11N3O3S/c1-14-7-11(6-12-14)18(16,17)13-10-4-2-3-9(5-10)8-15/h2-8,13H,1H3
InChIKeyNICIZOMGDKCZTK-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.03
Rot. Bonds4

About N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide

N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 106912960) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID106912960
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC NameN-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cccc(C=O)c2)cn1
InChIInChI=1S/C11H11N3O3S/c1-14-7-11(6-12-14)18(16,17)13-10-4-2-3-9(5-10)8-15/h2-8,13H,1H3
InChIKeyNICIZOMGDKCZTK-UHFFFAOYSA-N
XLogP1.03
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063001
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
4-tert-butyl-N-(3-formylphenyl)benzenesulfonamide
CID 1249997
4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
CID 167978269
1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
CID 87027340
N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106913044
3-formyl-N-phenylbenzenesulfonamide
CID 22601475
N-(3-formylphenyl)pyrrolidine-1-sulfonamide
CID 106912985
N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106061520

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide (CID 106912960) is N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cccc(C=O)c2)cn1.
What is the InChIKey of N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is NICIZOMGDKCZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-14-7-11(6-12-14)18(16,17)13-10-4-2-3-9(5-10)8-15/h2-8,13H,1H3.
What are the key properties of N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide?
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 265.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 106912960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).