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

C16H17N3O3S — CID 110874022

IUPAC4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(N3CCNC3=O)c2)cc1
InChIInChI=1S/C16H17N3O3S/c1-12-5-7-15(8-6-12)23(21,22)18-13-3-2-4-14(11-13)19-10-9-17-16(19)20/h2-8,11,18H,9-10H2,1H3,(H,17,20)
InChIKeyFDIUFDKOADIWTA-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.33
Rot. Bonds4

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

4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 110874022) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID110874022
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(N3CCNC3=O)c2)cc1
InChIInChI=1S/C16H17N3O3S/c1-12-5-7-15(8-6-12)23(21,22)18-13-3-2-4-14(11-13)19-10-9-17-16(19)20/h2-8,11,18H,9-10H2,1H3,(H,17,20)
InChIKeyFDIUFDKOADIWTA-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
2-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874034
N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 71102161
3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873996
1-[3-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-4H-pyrazole-3-carboxylic acid
CID 169372239
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one
CID 43696493
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370990
N-(1H-inden-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 149348973

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide (CID 110874022) is 4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(N3CCNC3=O)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is FDIUFDKOADIWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-12-5-7-15(8-6-12)23(21,22)18-13-3-2-4-14(11-13)19-10-9-17-16(19)20/h2-8,11,18H,9-10H2,1H3,(H,17,20).
What are the key properties of 4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110874022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).