N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

C18H21N3O2S — CID 1231757

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(C)n1
InChIInChI=1S/C18H21N3O2S/c1-4-21-13-17(14(2)19-21)12-20(3)24(22,23)18-10-9-15-7-5-6-8-16(15)11-18/h5-11,13H,4,12H2,1-3H3
InChIKeyFOLDBZBVJKOTQF-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.19
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 1231757) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID1231757
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(C)n1
InChIInChI=1S/C18H21N3O2S/c1-4-21-13-17(14(2)19-21)12-20(3)24(22,23)18-10-9-15-7-5-6-8-16(15)11-18/h5-11,13H,4,12H2,1-3H3
InChIKeyFOLDBZBVJKOTQF-UHFFFAOYSA-N
XLogP3.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hsp90-IN-27
CID 842058
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 29089514
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 5497333
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
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
4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1-phenethyl-1H-pyrazole
CID 10273651
[(1E)-2-(1,3-dimethylpyrazol-4-yl)-1-azavinyl][(4-methylphenyl)sulfonyl]amine
CID 6873384
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
CID 3277554
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-(propan-2-yl)benzenesulfonamide
CID 22204129

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 1231757) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is CCn1cc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is FOLDBZBVJKOTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-21-13-17(14(2)19-21)12-20(3)24(22,23)18-10-9-15-7-5-6-8-16(15)11-18/h5-11,13H,4,12H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 1231757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).