N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

C16H16FN3O3S — CID 71102161

IUPACN-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1F
InChIInChI=1S/C16H16FN3O3S/c1-11-2-3-12(10-15(11)17)19-24(22,23)14-6-4-13(5-7-14)20-9-8-18-16(20)21/h2-7,10,19H,8-9H2,1H3,(H,18,21)
InChIKeyIIWHSMZNDUZOEB-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.46
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 71102161) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID71102161
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1F
InChIInChI=1S/C16H16FN3O3S/c1-11-2-3-12(10-15(11)17)19-24(22,23)14-6-4-13(5-7-14)20-9-8-18-16(20)21/h2-7,10,19H,8-9H2,1H3,(H,18,21)
InChIKeyIIWHSMZNDUZOEB-UHFFFAOYSA-N
XLogP2.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999
3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873996
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874022
N-(1H-inden-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 149348973
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
CID 110666784
4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
CID 110666905
2-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874034
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110666787
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 71102161) is N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is IIWHSMZNDUZOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-11-2-3-12(10-15(11)17)19-24(22,23)14-6-4-13(5-7-14)20-9-8-18-16(20)21/h2-7,10,19H,8-9H2,1H3,(H,18,21).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 349.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 71102161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).