N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide

C20H18ClNO2S2 — CID 22202182

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClNO2S2/c1-2-15-7-13-18(14-8-15)26(23,24)22-19-5-3-4-6-20(19)25-17-11-9-16(21)10-12-17/h3-14,22H,2H2,1H3
InChIKeyCXKMYXGMMKGBSK-UHFFFAOYSA-N
MW403.96 g/mol
LogP5.85
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide (PubChem CID 22202182) has the molecular formula C20H18ClNO2S2 and a molecular weight of 403.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
PubChem CID22202182
Molecular FormulaC20H18ClNO2S2
Molecular Weight403.96 g/mol
Exact Mass403.05
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClNO2S2/c1-2-15-7-13-18(14-8-15)26(23,24)22-19-5-3-4-6-20(19)25-17-11-9-16(21)10-12-17/h3-14,22H,2H2,1H3
InChIKeyCXKMYXGMMKGBSK-UHFFFAOYSA-N
XLogP5.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.96
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22202175
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474
4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 22202239
1-N-methyl-4-N-(2-phenylsulfanylphenyl)benzene-1,4-disulfonamide
CID 25331209
N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22202209
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 28570483
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 4584042
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide (CID 22202182) is N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide?
The InChIKey is CXKMYXGMMKGBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S2/c1-2-15-7-13-18(14-8-15)26(23,24)22-19-5-3-4-6-20(19)25-17-11-9-16(21)10-12-17/h3-14,22H,2H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide has a molecular weight of 403.96 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 22202182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).