4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide

C11H11FN4O2S — CID 67225169

IUPAC4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(N)nc2)cc1F
InChIInChI=1S/C11H11FN4O2S/c1-14-19(17,18)10-3-2-7(4-9(10)12)8-5-15-11(13)16-6-8/h2-6,14H,1H3,(H2,13,15,16)
InChIKeyPOJGGBWGYSTBQR-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.77
Rot. Bonds3

About 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide

4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 67225169) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide
PubChem CID67225169
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(N)nc2)cc1F
InChIInChI=1S/C11H11FN4O2S/c1-14-19(17,18)10-3-2-7(4-9(10)12)8-5-15-11(13)16-6-8/h2-6,14H,1H3,(H2,13,15,16)
InChIKeyPOJGGBWGYSTBQR-UHFFFAOYSA-N
XLogP0.77
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide
CID 90313870
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 170112817
2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 11485390
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90314186
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-1,1-dihydroxypropan-2-yl]benzenesulfonamide
CID 137396116
2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid
CID 123453367
2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
CID 80642093
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
CID 91968201
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide (CID 67225169) is 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cnc(N)nc2)cc1F.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is POJGGBWGYSTBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-14-19(17,18)10-3-2-7(4-9(10)12)8-5-15-11(13)16-6-8/h2-6,14H,1H3,(H2,13,15,16).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide?
4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 67225169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).