(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide

C11H12BrNO3S — CID 94015109

IUPAC(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccccc1Br)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H12BrNO3S/c12-9-3-1-2-4-10(9)13-11(14)8-5-6-17(15,16)7-8/h1-4,8H,5-7H2,(H,13,14)/t8-/m0/s1
InChIKeyFSWALOVYKALFRD-QMMMGPOBSA-N
MW318.19 g/mol
LogP1.82
Rot. Bonds2

About (3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide

(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 94015109) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is (3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID94015109
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccccc1Br)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H12BrNO3S/c12-9-3-1-2-4-10(9)13-11(14)8-5-6-17(15,16)7-8/h1-4,8H,5-7H2,(H,13,14)/t8-/m0/s1
InChIKeyFSWALOVYKALFRD-QMMMGPOBSA-N
XLogP1.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-1,1-dioxothiolane-3-carboxamide
CID 60674718
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
(3S)-N-(2,3-dimethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9069926
N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64911937
(3R)-N-(4-bromo-2-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534988
N-(2-amino-4-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 64913377
N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 167875557
N-(2-bromophenyl)-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 109026542
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-1,1-dioxothiolane-3-carboxamide
CID 18102469
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781
1,1-dioxo-N-(4-phenyldiazenylphenyl)thiolane-3-carboxamide
CID 71901635
(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534986

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide (CID 94015109) is (3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide is O=C(Nc1ccccc1Br)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is FSWALOVYKALFRD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-9-3-1-2-4-10(9)13-11(14)8-5-6-17(15,16)7-8/h1-4,8H,5-7H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide?
(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 318.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 94015109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).