2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide

C16H19FN4O2S — CID 122352328

IUPAC2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccccc2F)nc(N2CCCC2)n1
InChIInChI=1S/C16H19FN4O2S/c1-12-10-13(20-16(19-12)21-8-4-5-9-21)11-18-24(22,23)15-7-3-2-6-14(15)17/h2-3,6-7,10,18H,4-5,8-9,11H2,1H3
InChIKeyJEZJWXBPZPXEQK-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.00
Rot. Bonds5

About 2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide

2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 122352328) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID122352328
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccccc2F)nc(N2CCCC2)n1
InChIInChI=1S/C16H19FN4O2S/c1-12-10-13(20-16(19-12)21-8-4-5-9-21)11-18-24(22,23)15-7-3-2-6-14(15)17/h2-3,6-7,10,18H,4-5,8-9,11H2,1H3
InChIKeyJEZJWXBPZPXEQK-UHFFFAOYSA-N
XLogP2.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide
CID 122352966
2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353004
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352741
2,4-dichloro-5-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352947
3-chloro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352331
4-ethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352319
1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122352951
2,4-diethoxy-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352611
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62847397
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352585
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352999
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122352554

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 122352328) is 2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccccc2F)nc(N2CCCC2)n1.
What is the InChIKey of 2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is JEZJWXBPZPXEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-12-10-13(20-16(19-12)21-8-4-5-9-21)11-18-24(22,23)15-7-3-2-6-14(15)17/h2-3,6-7,10,18H,4-5,8-9,11H2,1H3.
What are the key properties of 2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 350.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122352328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).