2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide

C9H7ClF3NOS — CID 107021740

IUPAC2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cc(S)ccc1Cl
InChIInChI=1S/C9H7ClF3NOS/c10-7-2-1-5(16)3-6(7)8(15)14-4-9(11,12)13/h1-3,16H,4H2,(H,14,15)
InChIKeyZFUVNMTZZCLQOP-UHFFFAOYSA-N
MW269.68 g/mol
LogP2.92
Rot. Bonds2

About 2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide

2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107021740) has the molecular formula C9H7ClF3NOS and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107021740
Molecular FormulaC9H7ClF3NOS
Molecular Weight269.68 g/mol
Exact Mass268.99
IUPAC Name2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cc(S)ccc1Cl
InChIInChI=1S/C9H7ClF3NOS/c10-7-2-1-5(16)3-6(7)8(15)14-4-9(11,12)13/h1-3,16H,4H2,(H,14,15)
InChIKeyZFUVNMTZZCLQOP-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 52.92
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-N-(2-fluoroethyl)-5-sulfanylbenzamide
CID 130505013
2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
CID 174879581
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
2-chloro-N-(3-hydroxy-2-methylpropyl)-5-sulfanylbenzamide
CID 107031103
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
N-(3-hydroxy-2,2-dimethylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107033291
2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate
CID 107034131
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide
CID 107028417
2-chloro-N-(4-hydroxy-2-methylbutyl)-5-sulfanylbenzamide
CID 107031763
2-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]-5-sulfanylbenzamide
CID 107034416
2-chloro-N-[4-(dimethylamino)butyl]-5-sulfanylbenzamide
CID 107027522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide (CID 107021740) is 2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ZFUVNMTZZCLQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NOS/c10-7-2-1-5(16)3-6(7)8(15)14-4-9(11,12)13/h1-3,16H,4H2,(H,14,15).
What are the key properties of 2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 269.68 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107021740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).