1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole

C11H13ClN2O2S2 — CID 2148551

IUPAC1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole
SMILESCCSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2S2/c1-2-17-11-13-7-8-14(11)18(15,16)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyIDCYSXHIZHXPGD-UHFFFAOYSA-N
MW304.82 g/mol
LogP2.45
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole

1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole (PubChem CID 2148551) has the molecular formula C11H13ClN2O2S2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole
PubChem CID2148551
Molecular FormulaC11H13ClN2O2S2
Molecular Weight304.82 g/mol
Exact Mass304.01
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole
SMILESCCSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2S2/c1-2-17-11-13-7-8-14(11)18(15,16)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyIDCYSXHIZHXPGD-UHFFFAOYSA-N
XLogP2.45
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole
CID 2148549
1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
CID 2806751
1-((4-chlorophenyl)sulfonyl)-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 731321
2-(methylthio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148541
2-(ethylthio)-1-((4-fluorophenyl)sulfonyl)-4,5-dihydro-1H-imidazole
CID 2148553
2-[(3-Chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole
CID 2148825
N'-(4-chlorophenyl)sulfonyl-N,N-diethylmethanimidamide
CID 9593754
1-(4-chlorobenzenesulfonyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 1508783
4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 1092371
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 2161234
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 2547676
1-(4-Chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
CID 4686830

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole (CID 2148551) is 1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole is CCSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole?
The InChIKey is IDCYSXHIZHXPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S2/c1-2-17-11-13-7-8-14(11)18(15,16)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole?
1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole has a molecular weight of 304.82 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).