(3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide

C15H19FN2O4S2 — CID 21006207

IUPAC(3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide
SMILESCC1=NCCN1[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C15H19FN2O4S2/c1-10-7-12(3-4-13(10)16)24(21,22)15-9-23(19,20)8-14(15)18-6-5-17-11(18)2/h3-4,7,14-15H,5-6,8-9H2,1-2H3/t14-,15-/m0/s1
InChIKeyKNVUKMPXKJUULX-GJZGRUSLSA-N
MW374.46 g/mol
LogP0.81
Rot. Bonds3

About (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide

(3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide (PubChem CID 21006207) has the molecular formula C15H19FN2O4S2 and a molecular weight of 374.46 g/mol. Its IUPAC name is (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide
PubChem CID21006207
Molecular FormulaC15H19FN2O4S2
Molecular Weight374.46 g/mol
Exact Mass374.08
IUPAC Name(3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide
SMILESCC1=NCCN1[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C15H19FN2O4S2/c1-10-7-12(3-4-13(10)16)24(21,22)15-9-23(19,20)8-14(15)18-6-5-17-11(18)2/h3-4,7,14-15H,5-6,8-9H2,1-2H3/t14-,15-/m0/s1
InChIKeyKNVUKMPXKJUULX-GJZGRUSLSA-N
XLogP0.81
TPSA83.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide?
The IUPAC name of (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide (CID 21006207) is (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide is CC1=NCCN1[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1.
What is the InChIKey of (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide?
The InChIKey is KNVUKMPXKJUULX-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H19FN2O4S2/c1-10-7-12(3-4-13(10)16)24(21,22)15-9-23(19,20)8-14(15)18-6-5-17-11(18)2/h3-4,7,14-15H,5-6,8-9H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide?
(3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide has a molecular weight of 374.46 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 21006207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).