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

C18H16FN3O2S — CID 122262233

IUPAC4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C18H16FN3O2S/c1-13-9-15(19)7-8-18(13)25(23,24)22-11-16-10-17(21-12-20-16)14-5-3-2-4-6-14/h2-10,12,22H,11H2,1H3
InChIKeyMNWIOEZMKPKMPI-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.07
Rot. Bonds5

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

4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 122262233) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID122262233
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C18H16FN3O2S/c1-13-9-15(19)7-8-18(13)25(23,24)22-11-16-10-17(21-12-20-16)14-5-3-2-4-6-14/h2-10,12,22H,11H2,1H3
InChIKeyMNWIOEZMKPKMPI-UHFFFAOYSA-N
XLogP3.07
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262156
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 122263139
3-chloro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 122263199
N-[(6-phenylpyrimidin-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122262229
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 122262639
2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262163
3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 122262152
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]naphthalene-2-sulfonamide
CID 122263168
2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 122262182
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
3,4-difluoro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122263214
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide
CID 122262719

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 122262233) is 4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is MNWIOEZMKPKMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-13-9-15(19)7-8-18(13)25(23,24)22-11-16-10-17(21-12-20-16)14-5-3-2-4-6-14/h2-10,12,22H,11H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122262233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).