5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide

C13H12N4O2S — CID 61112730

IUPAC5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C13H12N4O2S/c14-13-12(8-15-16-13)20(18,19)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8,17H,(H3,14,15,16)
InChIKeyFPKPQCNAKYLJKD-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.95
Rot. Bonds3

About 5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide

5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide (PubChem CID 61112730) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
PubChem CID61112730
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C13H12N4O2S/c14-13-12(8-15-16-13)20(18,19)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8,17H,(H3,14,15,16)
InChIKeyFPKPQCNAKYLJKD-UHFFFAOYSA-N
XLogP1.95
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929
5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide
CID 60808101
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60810401
5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 61126289
5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 55056893
5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide (CID 61112730) is 5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is FPKPQCNAKYLJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-13-12(8-15-16-13)20(18,19)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8,17H,(H3,14,15,16).
What are the key properties of 5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide?
5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61112730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).