5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide

C16H19FN4O3S — CID 122298710

IUPAC5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C16H19FN4O3S/c1-24-14-6-5-12(17)9-15(14)25(22,23)20-13-10-18-16(19-11-13)21-7-3-2-4-8-21/h5-6,9-11,20H,2-4,7-8H2,1H3
InChIKeyFGAVJQKDCMRLNX-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.42
Rot. Bonds5

About 5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide

5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 122298710) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
PubChem CID122298710
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC Name5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C16H19FN4O3S/c1-24-14-6-5-12(17)9-15(14)25(22,23)20-13-10-18-16(19-11-13)21-7-3-2-4-8-21/h5-6,9-11,20H,2-4,7-8H2,1H3
InChIKeyFGAVJQKDCMRLNX-UHFFFAOYSA-N
XLogP2.42
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298753
3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298771
3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790196
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968227
N-[6-(azepan-1-yl)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113015954
5-fluoro-2-methoxy-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297180
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968208
5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253326
5-fluoro-2-methoxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318624
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide (CID 122298710) is 5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is FGAVJQKDCMRLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-24-14-6-5-12(17)9-15(14)25(22,23)20-13-10-18-16(19-11-13)21-7-3-2-4-8-21/h5-6,9-11,20H,2-4,7-8H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 366.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 122298710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).