N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide

C20H18N4O2S — CID 90555158

IUPACN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide
SMILESCn1nc(CNS(=O)(=O)c2cccc3ccccc23)cc1-c1ccncc1
InChIInChI=1S/C20H18N4O2S/c1-24-19(16-9-11-21-12-10-16)13-17(23-24)14-22-27(25,26)20-8-4-6-15-5-2-3-7-18(15)20/h2-13,22H,14H2,1H3
InChIKeyJCMWVVMNUNHBOS-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.11
Rot. Bonds5

About N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide

N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide (PubChem CID 90555158) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide
PubChem CID90555158
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide
SMILESCn1nc(CNS(=O)(=O)c2cccc3ccccc23)cc1-c1ccncc1
InChIInChI=1S/C20H18N4O2S/c1-24-19(16-9-11-21-12-10-16)13-17(23-24)14-22-27(25,26)20-8-4-6-15-5-2-3-7-18(15)20/h2-13,22H,14H2,1H3
InChIKeyJCMWVVMNUNHBOS-UHFFFAOYSA-N
XLogP3.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide (CID 90555158) is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide is Cn1nc(CNS(=O)(=O)c2cccc3ccccc23)cc1-c1ccncc1.
What is the InChIKey of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide?
The InChIKey is JCMWVVMNUNHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-19(16-9-11-21-12-10-16)13-17(23-24)14-22-27(25,26)20-8-4-6-15-5-2-3-7-18(15)20/h2-13,22H,14H2,1H3.
What are the key properties of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide?
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 90555158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).