N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide

C15H15ClFNO3S2 — CID 37499605

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H15ClFNO3S2/c1-21-15-7-6-13(10-14(15)17)23(19,20)18-8-9-22-12-4-2-11(16)3-5-12/h2-7,10,18H,8-9H2,1H3
InChIKeyFKBYTQJARSMFAW-UHFFFAOYSA-N
MW375.87 g/mol
LogP3.56
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide

N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 37499605) has the molecular formula C15H15ClFNO3S2 and a molecular weight of 375.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID37499605
Molecular FormulaC15H15ClFNO3S2
Molecular Weight375.87 g/mol
Exact Mass375.02
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H15ClFNO3S2/c1-21-15-7-6-13(10-14(15)17)23(19,20)18-8-9-22-12-4-2-11(16)3-5-12/h2-7,10,18H,8-9H2,1H3
InChIKeyFKBYTQJARSMFAW-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide (CID 37499605) is N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1F.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is FKBYTQJARSMFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3S2/c1-21-15-7-6-13(10-14(15)17)23(19,20)18-8-9-22-12-4-2-11(16)3-5-12/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 375.87 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 37499605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).