(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide

C16H17ClN4O2S — CID 95558582

IUPAC(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
SMILESCn1nc(-c2nccn2C[C@H]2CCS(=O)(=O)C2)c2c(Cl)cccc21
InChIInChI=1S/C16H17ClN4O2S/c1-20-13-4-2-3-12(17)14(13)15(19-20)16-18-6-7-21(16)9-11-5-8-24(22,23)10-11/h2-4,6-7,11H,5,8-10H2,1H3/t11-/m1/s1
InChIKeyZGKYUEZHEMFGAY-LLVKDONJSA-N
MW364.86 g/mol
LogP2.52
Rot. Bonds3

About (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide

(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide (PubChem CID 95558582) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
PubChem CID95558582
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
SMILESCn1nc(-c2nccn2C[C@H]2CCS(=O)(=O)C2)c2c(Cl)cccc21
InChIInChI=1S/C16H17ClN4O2S/c1-20-13-4-2-3-12(17)14(13)15(19-20)16-18-6-7-21(16)9-11-5-8-24(22,23)10-11/h2-4,6-7,11H,5,8-10H2,1H3/t11-/m1/s1
InChIKeyZGKYUEZHEMFGAY-LLVKDONJSA-N
XLogP2.52
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide with MolForge

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Related Compounds

4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole
CID 70774818
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CID 95550835
5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 70720296
[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine
CID 155508699
1-(cyclopentylmethyl)-2-(2,6-dichlorophenyl)imidazole
CID 165428017
3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide
CID 56865181
N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine
CID 106569453
2-[1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 55039624
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 167882561
3-[(1,1-dioxothiolan-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115933261
cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
CID 154568600
3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
CID 117146320

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide (CID 95558582) is (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide is Cn1nc(-c2nccn2C[C@H]2CCS(=O)(=O)C2)c2c(Cl)cccc21.
What is the InChIKey of (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide?
The InChIKey is ZGKYUEZHEMFGAY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-20-13-4-2-3-12(17)14(13)15(19-20)16-18-6-7-21(16)9-11-5-8-24(22,23)10-11/h2-4,6-7,11H,5,8-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide?
(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide has a molecular weight of 364.86 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 95558582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).