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

C14H15ClN4O4S — CID 58995143

IUPAC2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide
SMILES[C-]#[N+]c1ccc(N2C(=O)N(CCS(N)(=O)=O)C(C)(C)C2=O)cc1Cl
InChIInChI=1S/C14H15ClN4O4S/c1-14(2)12(20)19(9-4-5-11(17-3)10(15)8-9)13(21)18(14)6-7-24(16,22)23/h4-5,8H,6-7H2,1-2H3,(H2,16,22,23)
InChIKeyUCZWZCOKVKLAIA-UHFFFAOYSA-N
MW370.82 g/mol
LogP1.73
Rot. Bonds4

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

2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide (PubChem CID 58995143) has the molecular formula C14H15ClN4O4S and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide
PubChem CID58995143
Molecular FormulaC14H15ClN4O4S
Molecular Weight370.82 g/mol
Exact Mass370.05
IUPAC Name2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide
SMILES[C-]#[N+]c1ccc(N2C(=O)N(CCS(N)(=O)=O)C(C)(C)C2=O)cc1Cl
InChIInChI=1S/C14H15ClN4O4S/c1-14(2)12(20)19(9-4-5-11(17-3)10(15)8-9)13(21)18(14)6-7-24(16,22)23/h4-5,8H,6-7H2,1-2H3,(H2,16,22,23)
InChIKeyUCZWZCOKVKLAIA-UHFFFAOYSA-N
XLogP1.73
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 51.73
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide?
The IUPAC name of 2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide (CID 58995143) is 2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide is [C-]#[N+]c1ccc(N2C(=O)N(CCS(N)(=O)=O)C(C)(C)C2=O)cc1Cl.
What is the InChIKey of 2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide?
The InChIKey is UCZWZCOKVKLAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4S/c1-14(2)12(20)19(9-4-5-11(17-3)10(15)8-9)13(21)18(14)6-7-24(16,22)23/h4-5,8H,6-7H2,1-2H3,(H2,16,22,23).
What are the key properties of 2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide?
2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide has a molecular weight of 370.82 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 58995143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).