4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide

C15H17NO3S2 — CID 57323122

IUPAC4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2S)cc1
InChIInChI=1S/C15H17NO3S2/c1-19-13-6-8-14(9-7-13)21(17,18)16-11-10-12-4-2-3-5-15(12)20/h2-9,16,20H,10-11H2,1H3
InChIKeySOVSQGIAAYBKAX-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.50
Rot. Bonds6

About 4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide

4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide (PubChem CID 57323122) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide
PubChem CID57323122
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2S)cc1
InChIInChI=1S/C15H17NO3S2/c1-19-13-6-8-14(9-7-13)21(17,18)16-11-10-12-4-2-3-5-15(12)20/h2-9,16,20H,10-11H2,1H3
InChIKeySOVSQGIAAYBKAX-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110789779
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide (CID 57323122) is 4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2S)cc1.
What is the InChIKey of 4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide?
The InChIKey is SOVSQGIAAYBKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-19-13-6-8-14(9-7-13)21(17,18)16-11-10-12-4-2-3-5-15(12)20/h2-9,16,20H,10-11H2,1H3.
What are the key properties of 4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 57323122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).