4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide

C17H18FN3O3S — CID 110666905

IUPAC4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
SMILESCN1CCCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1=O
InChIInChI=1S/C17H18FN3O3S/c1-20-11-2-12-21(17(20)22)15-7-5-14(6-8-15)19-25(23,24)16-9-3-13(18)4-10-16/h3-10,19H,2,11-12H2,1H3
InChIKeyOEJFKTXZKXLOMG-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.89
Rot. Bonds4

About 4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide

4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide (PubChem CID 110666905) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
PubChem CID110666905
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
SMILESCN1CCCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1=O
InChIInChI=1S/C17H18FN3O3S/c1-20-11-2-12-21(17(20)22)15-7-5-14(6-8-15)19-25(23,24)16-9-3-13(18)4-10-16/h3-10,19H,2,11-12H2,1H3
InChIKeyOEJFKTXZKXLOMG-UHFFFAOYSA-N
XLogP2.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide
CID 6927654
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 42869133
N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 71102161
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 110288174
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
4-fluoro-N-[3-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzenesulfonamide
CID 46070914
N-[4-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-methylbenzenesulfonamide
CID 42869152
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide (CID 110666905) is 4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide is CN1CCCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1=O.
What is the InChIKey of 4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide?
The InChIKey is OEJFKTXZKXLOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-20-11-2-12-21(17(20)22)15-7-5-14(6-8-15)19-25(23,24)16-9-3-13(18)4-10-16/h3-10,19H,2,11-12H2,1H3.
What are the key properties of 4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide has a molecular weight of 363.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110666905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).