N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide

C20H16FN3O2S — CID 22204834

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16FN3O2S/c21-20-8-4-3-7-17(20)13-24-14-18(12-22-24)23-27(25,26)19-10-9-15-5-1-2-6-16(15)11-19/h1-12,14,23H,13H2
InChIKeyITSFFTBKGJKZPF-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.02
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide (PubChem CID 22204834) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
PubChem CID22204834
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16FN3O2S/c21-20-8-4-3-7-17(20)13-24-14-18(12-22-24)23-27(25,26)19-10-9-15-5-1-2-6-16(15)11-19/h1-12,14,23H,13H2
InChIKeyITSFFTBKGJKZPF-UHFFFAOYSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-nitrobenzenesulfonamide
CID 4772592
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 39853759
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204570
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
CID 22204533
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide
CID 47063258
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 22204249
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 56805891

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide (CID 22204834) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide is O=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
The InChIKey is ITSFFTBKGJKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c21-20-8-4-3-7-17(20)13-24-14-18(12-22-24)23-27(25,26)19-10-9-15-5-1-2-6-16(15)11-19/h1-12,14,23H,13H2.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide has a molecular weight of 381.43 g/mol, XLogP of 4.02, 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]pyrazol-4-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 22204834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).