N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide

C9H9ClINOS — CID 107638389

IUPACN-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C9H9ClINOS/c1-5(14)9(13)12-8-3-2-6(10)4-7(8)11/h2-5,14H,1H3,(H,12,13)
InChIKeyGICYNIOHCMQPAU-UHFFFAOYSA-N
MW341.60 g/mol
LogP3.20
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide

N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide (PubChem CID 107638389) has the molecular formula C9H9ClINOS and a molecular weight of 341.60 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
PubChem CID107638389
Molecular FormulaC9H9ClINOS
Molecular Weight341.60 g/mol
Exact Mass340.91
IUPAC NameN-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C9H9ClINOS/c1-5(14)9(13)12-8-3-2-6(10)4-7(8)11/h2-5,14H,1H3,(H,12,13)
InChIKeyGICYNIOHCMQPAU-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.60
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636895
methyl 4-chloro-2-(2-sulfanylpropanoylamino)benzoate
CID 163684546
2-bromo-N-(4-chloro-2-iodophenyl)butanamide
CID 107624936
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
CID 107640719
3-[(4-chloro-2-iodophenyl)carbamoylamino]-4-methylpentanoic acid
CID 107628313
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide (CID 107638389) is N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide is CC(S)C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide?
The InChIKey is GICYNIOHCMQPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClINOS/c1-5(14)9(13)12-8-3-2-6(10)4-7(8)11/h2-5,14H,1H3,(H,12,13).
What are the key properties of N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide?
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide has a molecular weight of 341.60 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107638389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).