N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide

C16H16ClN3O2S — CID 29089515

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCN(Cc1c(Cl)cnn1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16ClN3O2S/c1-19(11-16-15(17)10-18-20(16)2)23(21,22)14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,11H2,1-2H3
InChIKeyOVRVSKBRIRQXCI-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.05
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 29089515) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID29089515
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCN(Cc1c(Cl)cnn1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16ClN3O2S/c1-19(11-16-15(17)10-18-20(16)2)23(21,22)14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,11H2,1-2H3
InChIKeyOVRVSKBRIRQXCI-UHFFFAOYSA-N
XLogP3.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 29089515) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide is CN(Cc1c(Cl)cnn1C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is OVRVSKBRIRQXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-19(11-16-15(17)10-18-20(16)2)23(21,22)14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,11H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 349.84 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 29089515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).