N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide

C21H16FN3O2S — CID 122263168

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccc(F)cc2)ncn1)c1ccc2ccccc2c1
InChIInChI=1S/C21H16FN3O2S/c22-18-8-5-16(6-9-18)21-12-19(23-14-24-21)13-25-28(26,27)20-10-7-15-3-1-2-4-17(15)11-20/h1-12,14,25H,13H2
InChIKeyFJPMBMGZBBSAGC-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.91
Rot. Bonds5

About N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide (PubChem CID 122263168) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide
PubChem CID122263168
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccc(F)cc2)ncn1)c1ccc2ccccc2c1
InChIInChI=1S/C21H16FN3O2S/c22-18-8-5-16(6-9-18)21-12-19(23-14-24-21)13-25-28(26,27)20-10-7-15-3-1-2-4-17(15)11-20/h1-12,14,25H,13H2
InChIKeyFJPMBMGZBBSAGC-UHFFFAOYSA-N
XLogP3.91
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122263214
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 122263139
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122262689
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233
3-chloro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 122263199
2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262156
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide
CID 122262719
4-ethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 122262717
2-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122262679
N-[(6-phenylpyrimidin-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122262229
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
CID 110443097

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide (CID 122263168) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide is O=S(=O)(NCc1cc(-c2ccc(F)cc2)ncn1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide?
The InChIKey is FJPMBMGZBBSAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-18-8-5-16(6-9-18)21-12-19(23-14-24-21)13-25-28(26,27)20-10-7-15-3-1-2-4-17(15)11-20/h1-12,14,25H,13H2.
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide has a molecular weight of 393.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 122263168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).