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

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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).