N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide

C11H11BrClNOS — CID 103824576

IUPACN-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCSC1
InChIInChI=1S/C11H11BrClNOS/c12-9-2-1-8(5-10(9)13)14-11(15)7-3-4-16-6-7/h1-2,5,7H,3-4,6H2,(H,14,15)
InChIKeyMIWXKINYUOPQOQ-UHFFFAOYSA-N
MW320.64 g/mol
LogP3.79
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide

N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide (PubChem CID 103824576) has the molecular formula C11H11BrClNOS and a molecular weight of 320.64 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide
PubChem CID103824576
Molecular FormulaC11H11BrClNOS
Molecular Weight320.64 g/mol
Exact Mass318.94
IUPAC NameN-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCSC1
InChIInChI=1S/C11H11BrClNOS/c12-9-2-1-8(5-10(9)13)14-11(15)7-3-4-16-6-7/h1-2,5,7H,3-4,6H2,(H,14,15)
InChIKeyMIWXKINYUOPQOQ-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
CID 110859499
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide
CID 110863729
N-(4-bromo-3-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 103824527
N-(4-bromo-3,5-dimethylphenyl)thiolane-3-carboxamide
CID 103582040
N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107620504
N-(3-chloro-4-methoxyphenyl)thiane-4-carboxamide
CID 110859512
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107618657
N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509
(1S,2R,3R,4R)-3-[(4-bromo-3-chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6554177

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide (CID 103824576) is N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CCSC1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide?
The InChIKey is MIWXKINYUOPQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNOS/c12-9-2-1-8(5-10(9)13)14-11(15)7-3-4-16-6-7/h1-2,5,7H,3-4,6H2,(H,14,15).
What are the key properties of N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide?
N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide has a molecular weight of 320.64 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide is sourced from PubChem (CID 103824576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).