2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide

C17H14FN3O2S — CID 122262156

IUPAC2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)ncn1)c1ccccc1F
InChIInChI=1S/C17H14FN3O2S/c18-15-8-4-5-9-17(15)24(22,23)21-11-14-10-16(20-12-19-14)13-6-2-1-3-7-13/h1-10,12,21H,11H2
InChIKeyYHVBMOZHAJRNTB-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.76
Rot. Bonds5

About 2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide

2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 122262156) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID122262156
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)ncn1)c1ccccc1F
InChIInChI=1S/C17H14FN3O2S/c18-15-8-4-5-9-17(15)24(22,23)21-11-14-10-16(20-12-19-14)13-6-2-1-3-7-13/h1-10,12,21H,11H2
InChIKeyYHVBMOZHAJRNTB-UHFFFAOYSA-N
XLogP2.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233
2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262163
N-[(6-phenylpyrimidin-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122262229
2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 122262182
3-chloro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 122263199
3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 122262152
2-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122262679
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide
CID 122262719
3,4-difluoro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122263214
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide
CID 122263168
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 122263139
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62847397

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 122262156) is 2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cc(-c2ccccc2)ncn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is YHVBMOZHAJRNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-15-8-4-5-9-17(15)24(22,23)21-11-14-10-16(20-12-19-14)13-6-2-1-3-7-13/h1-10,12,21H,11H2.
What are the key properties of 2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 343.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122262156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).