4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide

C16H16FN3O3S — CID 110873999

IUPAC4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2)ccc1F
InChIInChI=1S/C16H16FN3O3S/c1-11-10-14(6-7-15(11)17)24(22,23)19-12-2-4-13(5-3-12)20-9-8-18-16(20)21/h2-7,10,19H,8-9H2,1H3,(H,18,21)
InChIKeyCXGWLDPRACGOES-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.46
Rot. Bonds4

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

4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 110873999) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID110873999
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2)ccc1F
InChIInChI=1S/C16H16FN3O3S/c1-11-10-14(6-7-15(11)17)24(22,23)19-12-2-4-13(5-3-12)20-9-8-18-16(20)21/h2-7,10,19H,8-9H2,1H3,(H,18,21)
InChIKeyCXGWLDPRACGOES-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

3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873996
N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 71102161
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110666787
2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
CID 110666784
4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874022
4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724965
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
N-(1H-inden-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 149348973
5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 166190147
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 110732433

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide (CID 110873999) is 4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is CXGWLDPRACGOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-11-10-14(6-7-15(11)17)24(22,23)19-12-2-4-13(5-3-12)20-9-8-18-16(20)21/h2-7,10,19H,8-9H2,1H3,(H,18,21).
What are the key properties of 4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]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 4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110873999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).