N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide

C15H17NO2S3 — CID 28570483

IUPACN-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCCSc1ccccc1NS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C15H17NO2S3/c1-3-20-15-7-5-4-6-14(15)16-21(17,18)13-10-8-12(19-2)9-11-13/h4-11,16H,3H2,1-2H3
InChIKeySTRCTYJCFLTFAG-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.32
Rot. Bonds6

About N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide

N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 28570483) has the molecular formula C15H17NO2S3 and a molecular weight of 339.51 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID28570483
Molecular FormulaC15H17NO2S3
Molecular Weight339.51 g/mol
Exact Mass339.04
IUPAC NameN-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCCSc1ccccc1NS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C15H17NO2S3/c1-3-20-15-7-5-4-6-14(15)16-21(17,18)13-10-8-12(19-2)9-11-13/h4-11,16H,3H2,1-2H3
InChIKeySTRCTYJCFLTFAG-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 30396497
4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
CID 107649990
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107
1-N-methyl-4-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzene-1,4-disulfonamide
CID 46635998
N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 2967801
N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 1252577
1-N-methyl-4-N-(2-phenylsulfanylphenyl)benzene-1,4-disulfonamide
CID 25331209
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
4-[(2-ethylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061735
4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
CID 16615645
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
CID 22202182
2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
CID 9068077

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide (CID 28570483) is N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide is CCSc1ccccc1NS(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is STRCTYJCFLTFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S3/c1-3-20-15-7-5-4-6-14(15)16-21(17,18)13-10-8-12(19-2)9-11-13/h4-11,16H,3H2,1-2H3.
What are the key properties of N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide?
N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 339.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 28570483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).