(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide

C12H14FNO3S — CID 9081263

IUPAC(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1F
InChIInChI=1S/C12H14FNO3S/c1-8-2-3-10(6-11(8)13)14-12(15)9-4-5-18(16,17)7-9/h2-3,6,9H,4-5,7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyBWLHYNYTNJRVBZ-VIFPVBQESA-N
MW271.31 g/mol
LogP1.51
Rot. Bonds2

About (3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide

(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 9081263) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is (3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID9081263
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1F
InChIInChI=1S/C12H14FNO3S/c1-8-2-3-10(6-11(8)13)14-12(15)9-4-5-18(16,17)7-9/h2-3,6,9H,4-5,7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyBWLHYNYTNJRVBZ-VIFPVBQESA-N
XLogP1.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 126832675
N-(3,4-dimethylphenyl)-1,1-dioxothiane-3-carboxamide
CID 110857386
N-(3-cyano-4-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 63184164
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 17466033
N-(3-amino-4-ethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 62057642
(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
CID 51463150
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90511941
(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534986

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide (CID 9081263) is (3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1F.
What is the InChIKey of (3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is BWLHYNYTNJRVBZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-8-2-3-10(6-11(8)13)14-12(15)9-4-5-18(16,17)7-9/h2-3,6,9H,4-5,7H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide?
(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 9081263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).