N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide

C14H13N3O2S — CID 61003306

IUPACN-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1cn[nH]c1)c1ccc2ccccc2c1
InChIInChI=1S/C14H13N3O2S/c18-20(19,17-10-11-8-15-16-9-11)14-6-5-12-3-1-2-4-13(12)7-14/h1-9,17H,10H2,(H,15,16)
InChIKeyBLWVGUPFLCXSMN-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.04
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide

N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide (PubChem CID 61003306) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide
PubChem CID61003306
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1cn[nH]c1)c1ccc2ccccc2c1
InChIInChI=1S/C14H13N3O2S/c18-20(19,17-10-11-8-15-16-9-11)14-6-5-12-3-1-2-4-13(12)7-14/h1-9,17H,10H2,(H,15,16)
InChIKeyBLWVGUPFLCXSMN-UHFFFAOYSA-N
XLogP2.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889920
1-Naphthalen-2-ylsulfonylpyrazole
CID 6469143
1-[(3,4-dimethylphenyl)sulfonyl]-1H-pyrazole
CID 6463098
amino N'-[5-[2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)phenyl]naphthalen-2-yl]sulfonylcarbamimidothioate
CID 173511913
2-fluoro-4-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 176207760
Pyrazol-4-ylphenyliodonium tosylate
CID 129783380
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897316
3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897317
N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 61003414
N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 61003745
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 75393084

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide (CID 61003306) is N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide is O=S(=O)(NCc1cn[nH]c1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide?
The InChIKey is BLWVGUPFLCXSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-20(19,17-10-11-8-15-16-9-11)14-6-5-12-3-1-2-4-13(12)7-14/h1-9,17H,10H2,(H,15,16).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide?
N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 61003306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).