N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide

C15H16FN3O2S — CID 122264174

IUPACN-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCc1cc(C2CC2)ncn1
InChIInChI=1S/C15H16FN3O2S/c16-13-3-1-2-11(6-13)9-22(20,21)19-8-14-7-15(12-4-5-12)18-10-17-14/h1-3,6-7,10,12,19H,4-5,8-9H2
InChIKeyJRVPUSSTOIAKAM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.11
Rot. Bonds6

About N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 122264174) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID122264174
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCc1cc(C2CC2)ncn1
InChIInChI=1S/C15H16FN3O2S/c16-13-3-1-2-11(6-13)9-22(20,21)19-8-14-7-15(12-4-5-12)18-10-17-14/h1-3,6-7,10,12,19H,4-5,8-9H2
InChIKeyJRVPUSSTOIAKAM-UHFFFAOYSA-N
XLogP2.11
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
4-bromo-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122264128
N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide
CID 122263674
1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721822
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122322649
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 35388728
1-(cyclopropylmethylsulfonylmethyl)-3-fluorobenzene
CID 167784424
1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 121108298
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 53163283
1-(3-fluorophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
CID 71790796

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide (CID 122264174) is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCc1cc(C2CC2)ncn1.
What is the InChIKey of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is JRVPUSSTOIAKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-13-3-1-2-11(6-13)9-22(20,21)19-8-14-7-15(12-4-5-12)18-10-17-14/h1-3,6-7,10,12,19H,4-5,8-9H2.
What are the key properties of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 321.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 122264174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).