N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide

C22H20FN3O2S — CID 4772900

IUPACN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H20FN3O2S/c1-15-22(16(2)26(24-15)14-19-9-5-6-10-21(19)23)25-29(27,28)20-12-11-17-7-3-4-8-18(17)13-20/h3-13,25H,14H2,1-2H3
InChIKeyNWPGENHLHMKFSJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.64
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide

N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide (PubChem CID 4772900) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide
PubChem CID4772900
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC NameN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H20FN3O2S/c1-15-22(16(2)26(24-15)14-19-9-5-6-10-21(19)23)25-29(27,28)20-12-11-17-7-3-4-8-18(17)13-20/h3-13,25H,14H2,1-2H3
InChIKeyNWPGENHLHMKFSJ-UHFFFAOYSA-N
XLogP4.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide (CID 4772900) is N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide is Cc1nn(Cc2ccccc2F)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide?
The InChIKey is NWPGENHLHMKFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-15-22(16(2)26(24-15)14-19-9-5-6-10-21(19)23)25-29(27,28)20-12-11-17-7-3-4-8-18(17)13-20/h3-13,25H,14H2,1-2H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide?
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide has a molecular weight of 409.49 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 4772900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).