N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide

C15H15N3O2S — CID 22207802

IUPACN-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15N3O2S/c1-18-14(8-9-16-18)11-17-21(19,20)15-7-6-12-4-2-3-5-13(12)10-15/h2-10,17H,11H2,1H3
InChIKeyKYYVPIJYARFPHX-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.05
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide

N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide (PubChem CID 22207802) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide
PubChem CID22207802
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15N3O2S/c1-18-14(8-9-16-18)11-17-21(19,20)15-7-6-12-4-2-3-5-13(12)10-15/h2-10,17H,11H2,1H3
InChIKeyKYYVPIJYARFPHX-UHFFFAOYSA-N
XLogP2.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hsp90-IN-27
CID 842058
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 29089514
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-naphthalenesulfonamide
CID 1231757
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873460
N-[(4-Chloro-1-methyl-1H-pyrazol-5-YL)methyl]-N-methyl-2-naphthalenesulfonamide
CID 29089515
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-2-sulfonamide
CID 118512805
4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide
CID 71461353
N-(1,3,5-trimethyl-1H-pyrazol-4-yl)naphthalene-2-sulfonamide
CID 3853763

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide (CID 22207802) is N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide is Cn1nccc1CNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide?
The InChIKey is KYYVPIJYARFPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18-14(8-9-16-18)11-17-21(19,20)15-7-6-12-4-2-3-5-13(12)10-15/h2-10,17H,11H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide?
N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 22207802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).