4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide

C15H17NO2S2 — CID 7594474

IUPAC4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C15H17NO2S2/c1-3-12-7-9-15(10-8-12)20(17,18)16-13-5-4-6-14(11-13)19-2/h4-11,16H,3H2,1-2H3
InChIKeyBGQXTCGSZXZOCI-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.77
Rot. Bonds5

About 4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide

4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 7594474) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
PubChem CID7594474
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C15H17NO2S2/c1-3-12-7-9-15(10-8-12)20(17,18)16-13-5-4-6-14(11-13)19-2/h4-11,16H,3H2,1-2H3
InChIKeyBGQXTCGSZXZOCI-UHFFFAOYSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
N-(3-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696922
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide
CID 124587750
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922
3-amino-5-fluoro-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 63322037
2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide
CID 62163890
N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11318086

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (CID 7594474) is 4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1.
What is the InChIKey of 4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is BGQXTCGSZXZOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-3-12-7-9-15(10-8-12)20(17,18)16-13-5-4-6-14(11-13)19-2/h4-11,16H,3H2,1-2H3.
What are the key properties of 4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 7594474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).