N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

C17H19N3O3S — CID 53372743

IUPACN-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1C
InChIInChI=1S/C17H19N3O3S/c1-12-3-4-14(11-13(12)2)19-24(22,23)16-7-5-15(6-8-16)20-10-9-18-17(20)21/h3-8,11,19H,9-10H2,1-2H3,(H,18,21)
InChIKeyXCURAHSGKVAITP-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.63
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 53372743) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID53372743
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1C
InChIInChI=1S/C17H19N3O3S/c1-12-3-4-14(11-13(12)2)19-24(22,23)16-7-5-15(6-8-16)20-10-9-18-17(20)21/h3-8,11,19H,9-10H2,1-2H3,(H,18,21)
InChIKeyXCURAHSGKVAITP-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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 53372743) is N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is XCURAHSGKVAITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-3-4-14(11-13(12)2)19-24(22,23)16-7-5-15(6-8-16)20-10-9-18-17(20)21/h3-8,11,19H,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)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 N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 53372743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).