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

C10H11ClN2O2S2 — CID 731321

IUPAC1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2S2/c1-16-10-12-6-7-13(10)17(14,15)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKeyGZQFSJFUDHRGQF-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.06
Rot. Bonds2

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

1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 731321) has the molecular formula C10H11ClN2O2S2 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID731321
Molecular FormulaC10H11ClN2O2S2
Molecular Weight290.80 g/mol
Exact Mass290.00
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2S2/c1-16-10-12-6-7-13(10)17(14,15)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKeyGZQFSJFUDHRGQF-UHFFFAOYSA-N
XLogP2.06
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.06
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
2-(methylthio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148541
1-(4-fluorobenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
CID 2148543
1-(4-Chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole
CID 2148551
N'-(4-chlorophenyl)sulfonyl-N,N-diethylmethanimidamide
CID 9593754
Carbamimidothioic acid, N'-((4-chlorophenyl)sulfonyl)-N-cyclohexyl-, methyl ester
CID 120860
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
2-Methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole
CID 2806746
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-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 731321) is 1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole is CSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is GZQFSJFUDHRGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S2/c1-16-10-12-6-7-13(10)17(14,15)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
1-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 290.80 g/mol, XLogP of 2.06, 2 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-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 731321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).