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

C17H19N3O3S — CID 110873996

IUPAC3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2)cc1C
InChIInChI=1S/C17H19N3O3S/c1-12-3-8-16(11-13(12)2)24(22,23)19-14-4-6-15(7-5-14)20-10-9-18-17(20)21/h3-8,11,19H,9-10H2,1-2H3,(H,18,21)
InChIKeyAZEGZKOJISIOLI-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.63
Rot. Bonds4

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

3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 110873996) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID110873996
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2)cc1C
InChIInChI=1S/C17H19N3O3S/c1-12-3-8-16(11-13(12)2)24(22,23)19-14-4-6-15(7-5-14)20-10-9-18-17(20)21/h3-8,11,19H,9-10H2,1-2H3,(H,18,21)
InChIKeyAZEGZKOJISIOLI-UHFFFAOYSA-N
XLogP2.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.63
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
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 71102161
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
CID 110666784
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110666787
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
5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 166190147
N-[4-(2-oxoimidazolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 60707214
2-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874034
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide (CID 110873996) is 3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is AZEGZKOJISIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-3-8-16(11-13(12)2)24(22,23)19-14-4-6-15(7-5-14)20-10-9-18-17(20)21/h3-8,11,19H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide?
3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110873996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).