4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide

C18H24FN5O2S — CID 110092409

IUPAC4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide
SMILESCNc1cc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)nc(C2CCCN2)n1
InChIInChI=1S/C18H24FN5O2S/c1-12-9-14(6-7-15(12)19)27(25,26)24(3)11-13-10-17(20-2)23-18(22-13)16-5-4-8-21-16/h6-7,9-10,16,21H,4-5,8,11H2,1-3H3,(H,20,22,23)
InChIKeyYJEBPMQEIJSNMD-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.21
Rot. Bonds6

About 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide

4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide (PubChem CID 110092409) has the molecular formula C18H24FN5O2S and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide
PubChem CID110092409
Molecular FormulaC18H24FN5O2S
Molecular Weight393.49 g/mol
Exact Mass393.16
IUPAC Name4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide
SMILESCNc1cc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)nc(C2CCCN2)n1
InChIInChI=1S/C18H24FN5O2S/c1-12-9-14(6-7-15(12)19)27(25,26)24(3)11-13-10-17(20-2)23-18(22-13)16-5-4-8-21-16/h6-7,9-10,16,21H,4-5,8,11H2,1-3H3,(H,20,22,23)
InChIKeyYJEBPMQEIJSNMD-UHFFFAOYSA-N
XLogP2.21
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

6-[(dimethylamino)methyl]-N-methyl-2-piperidin-2-ylpyrimidin-4-amine
CID 66509772
6-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]methyl]-N-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
CID 92638481
N-methyl-6-[[methyl(quinolin-8-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
CID 110092434
N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
CID 110092413
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645
N,5-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 110092399
N-methyl-N-[[6-(methylamino)-2-[(2S)-piperidin-2-yl]pyrimidin-4-yl]methyl]-2-phenylbenzamide
CID 92624281
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
4-fluoro-N,3-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 100696977
4-(4-fluoro-3-methylphenyl)-1-[4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one
CID 110266002
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
4-fluoro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3-dimethylbenzenesulfonamide
CID 100697046

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide (CID 110092409) is 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide is CNc1cc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)nc(C2CCCN2)n1.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is YJEBPMQEIJSNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2S/c1-12-9-14(6-7-15(12)19)27(25,26)24(3)11-13-10-17(20-2)23-18(22-13)16-5-4-8-21-16/h6-7,9-10,16,21H,4-5,8,11H2,1-3H3,(H,20,22,23).
What are the key properties of 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide?
4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 393.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-[[6-(methylamino)-2-pyrrolidin-2-ylpyrimidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110092409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).