N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide

C12H15N3O3S — CID 747390

IUPACN-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2CN(C)C(=O)N2C)cc1
InChIInChI=1S/C12H15N3O3S/c1-9-4-6-10(7-5-9)19(17,18)13-11-8-14(2)12(16)15(11)3/h4-7H,8H2,1-3H3
InChIKeyFKNFTEDZOUKTPR-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.08
Rot. Bonds2

About N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide

N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide (PubChem CID 747390) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide
PubChem CID747390
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2CN(C)C(=O)N2C)cc1
InChIInChI=1S/C12H15N3O3S/c1-9-4-6-10(7-5-9)19(17,18)13-11-8-14(2)12(16)15(11)3/h4-7H,8H2,1-3H3
InChIKeyFKNFTEDZOUKTPR-UHFFFAOYSA-N
XLogP1.08
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(p-Tosyl)-3,4,4-trimethylimidazolidine
CID 126588
Tolpyrramide
CID 267368
Ethyl 3-[(4-methylphenyl)sulfonyl]imidazolidine-1-carboxylate
CID 683426
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamide
CID 2810723
1-[5-Methyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-propan-1-one
CID 647061
1-[5-Methyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 3157921
Pyrrolidin-1-yl(4-tosylpiperazin-1-yl)methanone
CID 849899
N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 2928101
1-{2-Methyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}ethanone
CID 4125549
N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)benzenesulfonamide
CID 9615753
(1E)-N,N-dimethyl-N'-[(4-methylphenyl)sulfonyl]ethanimidamide
CID 5930712
1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 651253

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide (CID 747390) is N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=C2CN(C)C(=O)N2C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is FKNFTEDZOUKTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-4-6-10(7-5-9)19(17,18)13-11-8-14(2)12(16)15(11)3/h4-7H,8H2,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxoimidazolidin-4-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 747390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).