1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide

C14H16ClNO3S2 — CID 18891330

IUPAC1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCSCc1ccco1
InChIInChI=1S/C14H16ClNO3S2/c15-13-5-3-12(4-6-13)11-21(17,18)16-7-9-20-10-14-2-1-8-19-14/h1-6,8,16H,7,9-11H2
InChIKeyKCWLQVFEVILVCG-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.29
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide (PubChem CID 18891330) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide
PubChem CID18891330
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCSCc1ccco1
InChIInChI=1S/C14H16ClNO3S2/c15-13-5-3-12(4-6-13)11-21(17,18)16-7-9-20-10-14-2-1-8-19-14/h1-6,8,16H,7,9-11H2
InChIKeyKCWLQVFEVILVCG-UHFFFAOYSA-N
XLogP3.29
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.29
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 1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide (CID 18891330) is 1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCCSCc1ccco1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide?
The InChIKey is KCWLQVFEVILVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c15-13-5-3-12(4-6-13)11-21(17,18)16-7-9-20-10-14-2-1-8-19-14/h1-6,8,16H,7,9-11H2.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide has a molecular weight of 345.87 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide is sourced from PubChem (CID 18891330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).