N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide

C14H13ClFNO2S2 — CID 2274741

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO2S2/c15-11-1-5-13(6-2-11)20-10-9-17-21(18,19)14-7-3-12(16)4-8-14/h1-8,17H,9-10H2
InChIKeyYWFGENJOQUFIFR-UHFFFAOYSA-N
MW345.85 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide

N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide (PubChem CID 2274741) has the molecular formula C14H13ClFNO2S2 and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide
PubChem CID2274741
Molecular FormulaC14H13ClFNO2S2
Molecular Weight345.85 g/mol
Exact Mass345.01
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO2S2/c15-11-1-5-13(6-2-11)20-10-9-17-21(18,19)14-7-3-12(16)4-8-14/h1-8,17H,9-10H2
InChIKeyYWFGENJOQUFIFR-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylsulfanyl)ethyl]-4-chlorobenzenesulfonamide
CID 2805058
4-Chlorophenyl 4-fluorophenyl sulfone
CID 786373
2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide
CID 847864
4-fluoro-N-[2-(phenylsulfanyl)ethyl]benzenesulfonamide
CID 2276062
4-chloro-2-(2-fluorophenylsulfonyl)-N-(4-(trifluoromethylsulfonamido)butyl)benzenesulfonamide
CID 46226114
4-chloro-N-[methyl(oxo)phenyl-lambda~6~-sulfanylidene]benzenesulfonamide
CID 2819853
N1-{2-[(4-chlorophenyl)thio]ethanimidoyl}-4-chlorobenzene-1-sulfonamide
CID 9583486
N-[2-(benzylsulfanyl)ethyl]-4-chlorobenzenesulfonamide
CID 2274560
4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide
CID 2345289
2-fluoro-N-[3-(phenylsulfanyl)propyl]benzene-1-sulfonamide
CID 2450143
2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide
CID 2805039
2-[(4-Chlorophenyl)sulfonyl]ethanethioamide
CID 2743732

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide (CID 2274741) is N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide?
The InChIKey is YWFGENJOQUFIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S2/c15-11-1-5-13(6-2-11)20-10-9-17-21(18,19)14-7-3-12(16)4-8-14/h1-8,17H,9-10H2.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide has a molecular weight of 345.85 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2274741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).