N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide

C15H19FN4O3S — CID 122322382

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1F
InChIInChI=1S/C15H19FN4O3S/c1-10-7-15(20(2)3)19-14(18-10)9-17-24(21,22)11-5-6-13(23-4)12(16)8-11/h5-8,17H,9H2,1-4H3
InChIKeyAXSFTSDVZUMDKO-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.48
Rot. Bonds6

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 122322382) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID122322382
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1F
InChIInChI=1S/C15H19FN4O3S/c1-10-7-15(20(2)3)19-14(18-10)9-17-24(21,22)11-5-6-13(23-4)12(16)8-11/h5-8,17H,9H2,1-4H3
InChIKeyAXSFTSDVZUMDKO-UHFFFAOYSA-N
XLogP1.48
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967076
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 121137926
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 39660538
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 121137197
3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 5310095
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide
CID 122322384
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 16890439
3-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883492
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide (CID 122322382) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1F.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is AXSFTSDVZUMDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c1-10-7-15(20(2)3)19-14(18-10)9-17-24(21,22)11-5-6-13(23-4)12(16)8-11/h5-8,17H,9H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 354.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122322382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).