3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide

C15H17ClN4O4S — CID 58995159

IUPAC3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide
SMILES[C-]#[N+]c1ccc(N2C(=O)N(CCCS(N)(=O)=O)C(C)(C)C2=O)cc1Cl
InChIInChI=1S/C15H17ClN4O4S/c1-15(2)13(21)20(10-5-6-12(18-3)11(16)9-10)14(22)19(15)7-4-8-25(17,23)24/h5-6,9H,4,7-8H2,1-2H3,(H2,17,23,24)
InChIKeyVIUMSPHCXBUJOA-UHFFFAOYSA-N
MW384.85 g/mol
LogP2.12
Rot. Bonds5

About 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide

3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide (PubChem CID 58995159) has the molecular formula C15H17ClN4O4S and a molecular weight of 384.85 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide
PubChem CID58995159
Molecular FormulaC15H17ClN4O4S
Molecular Weight384.85 g/mol
Exact Mass384.07
IUPAC Name3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide
SMILES[C-]#[N+]c1ccc(N2C(=O)N(CCCS(N)(=O)=O)C(C)(C)C2=O)cc1Cl
InChIInChI=1S/C15H17ClN4O4S/c1-15(2)13(21)20(10-5-6-12(18-3)11(16)9-10)14(22)19(15)7-4-8-25(17,23)24/h5-6,9H,4,7-8H2,1-2H3,(H2,17,23,24)
InChIKeyVIUMSPHCXBUJOA-UHFFFAOYSA-N
XLogP2.12
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide?
The IUPAC name of 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide (CID 58995159) is 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide is [C-]#[N+]c1ccc(N2C(=O)N(CCCS(N)(=O)=O)C(C)(C)C2=O)cc1Cl.
What is the InChIKey of 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide?
The InChIKey is VIUMSPHCXBUJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4S/c1-15(2)13(21)20(10-5-6-12(18-3)11(16)9-10)14(22)19(15)7-4-8-25(17,23)24/h5-6,9H,4,7-8H2,1-2H3,(H2,17,23,24).
What are the key properties of 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide?
3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide has a molecular weight of 384.85 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 58995159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).