4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide

C11H9ClF3N3O4S — CID 2012389

IUPAC4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESCN1C(=O)N[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C1=O
InChIInChI=1S/C11H9ClF3N3O4S/c1-18-8(19)10(11(13,14)15,16-9(18)20)17-23(21,22)7-4-2-6(12)3-5-7/h2-5,17H,1H3,(H,16,20)/t10-/m1/s1
InChIKeyPYWZFXXNUSYXTC-SNVBAGLBSA-N
MW371.72 g/mol
LogP1.06
Rot. Bonds3

About 4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide

4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (PubChem CID 2012389) has the molecular formula C11H9ClF3N3O4S and a molecular weight of 371.72 g/mol. Its IUPAC name is 4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
PubChem CID2012389
Molecular FormulaC11H9ClF3N3O4S
Molecular Weight371.72 g/mol
Exact Mass371.00
IUPAC Name4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESCN1C(=O)N[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C1=O
InChIInChI=1S/C11H9ClF3N3O4S/c1-18-8(19)10(11(13,14)15,16-9(18)20)17-23(21,22)7-4-2-6(12)3-5-7/h2-5,17H,1H3,(H,16,20)/t10-/m1/s1
InChIKeyPYWZFXXNUSYXTC-SNVBAGLBSA-N
XLogP1.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.72
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (CID 2012389) is 4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is CN1C(=O)N[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C1=O.
What is the InChIKey of 4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The InChIKey is PYWZFXXNUSYXTC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H9ClF3N3O4S/c1-18-8(19)10(11(13,14)15,16-9(18)20)17-23(21,22)7-4-2-6(12)3-5-7/h2-5,17H,1H3,(H,16,20)/t10-/m1/s1.
What are the key properties of 4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide has a molecular weight of 371.72 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 2012389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).