N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide

C11H11ClINOS — CID 103766813

IUPACN-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)C1CCCS1
InChIInChI=1S/C11H11ClINOS/c12-7-3-4-9(8(13)6-7)14-11(15)10-2-1-5-16-10/h3-4,6,10H,1-2,5H2,(H,14,15)
InChIKeyHQRHQVUKUXFQQS-UHFFFAOYSA-N
MW367.64 g/mol
LogP3.78
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide

N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide (PubChem CID 103766813) has the molecular formula C11H11ClINOS and a molecular weight of 367.64 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
PubChem CID103766813
Molecular FormulaC11H11ClINOS
Molecular Weight367.64 g/mol
Exact Mass366.93
IUPAC NameN-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)C1CCCS1
InChIInChI=1S/C11H11ClINOS/c12-7-3-4-9(8(13)6-7)14-11(15)10-2-1-5-16-10/h3-4,6,10H,1-2,5H2,(H,14,15)
InChIKeyHQRHQVUKUXFQQS-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.64
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103766784
N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide
CID 110865134
4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107629484
N-(4-carbamothioyl-2-chlorophenyl)thiolane-2-carboxamide
CID 114003509
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
N-(4-amino-2-fluorophenyl)thiane-2-carboxamide
CID 80594241
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
N-(2-fluorophenyl)thiane-2-carboxamide
CID 110858566
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide (CID 103766813) is N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide is O=C(Nc1ccc(Cl)cc1I)C1CCCS1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide?
The InChIKey is HQRHQVUKUXFQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINOS/c12-7-3-4-9(8(13)6-7)14-11(15)10-2-1-5-16-10/h3-4,6,10H,1-2,5H2,(H,14,15).
What are the key properties of N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide?
N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide has a molecular weight of 367.64 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide is sourced from PubChem (CID 103766813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).