2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide

C9H9ClFNOS — CID 130505013

IUPAC2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide
SMILESO=C(NCCF)c1cc(S)ccc1Cl
InChIInChI=1S/C9H9ClFNOS/c10-8-2-1-6(14)5-7(8)9(13)12-4-3-11/h1-2,5,14H,3-4H2,(H,12,13)
InChIKeyKCXQBRNOLFAKPO-UHFFFAOYSA-N
MW233.69 g/mol
LogP2.33
Rot. Bonds3

About 2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide

2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide (PubChem CID 130505013) has the molecular formula C9H9ClFNOS and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide
PubChem CID130505013
Molecular FormulaC9H9ClFNOS
Molecular Weight233.69 g/mol
Exact Mass233.01
IUPAC Name2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide
SMILESO=C(NCCF)c1cc(S)ccc1Cl
InChIInChI=1S/C9H9ClFNOS/c10-8-2-1-6(14)5-7(8)9(13)12-4-3-11/h1-2,5,14H,3-4H2,(H,12,13)
InChIKeyKCXQBRNOLFAKPO-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107021740
2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate
CID 107034131
2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide
CID 107028417
2-chloro-N-[4-(dimethylamino)butyl]-5-sulfanylbenzamide
CID 107027522
2-chloro-N-(3-phenoxypropyl)-5-sulfanylbenzamide
CID 107028301
2-chloro-N-[2-(3-methylbutoxy)ethyl]-5-sulfanylbenzamide
CID 107027369
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
2-chloro-N-(3-hydroxy-2-methylpropyl)-5-sulfanylbenzamide
CID 107031103
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-sulfanylbenzamide
CID 107029727
2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-sulfanylbenzamide
CID 107036335
2-chloro-N-(4-hydroxy-2-methylbutyl)-5-sulfanylbenzamide
CID 107031763
2-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]-5-sulfanylbenzamide
CID 107034416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide (CID 130505013) is 2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide is O=C(NCCF)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide?
The InChIKey is KCXQBRNOLFAKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNOS/c10-8-2-1-6(14)5-7(8)9(13)12-4-3-11/h1-2,5,14H,3-4H2,(H,12,13).
What are the key properties of 2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide?
2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide has a molecular weight of 233.69 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide is sourced from PubChem (CID 130505013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).