N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide

C22H22ClNO2S2 — CID 22202209

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1C
InChIInChI=1S/C22H22ClNO2S2/c1-14-13-15(2)17(4)22(16(14)3)28(25,26)24-20-7-5-6-8-21(20)27-19-11-9-18(23)10-12-19/h5-13,24H,1-4H3
InChIKeyLMYFXWFKLXSFSA-UHFFFAOYSA-N
MW432.01 g/mol
LogP6.53
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 22202209) has the molecular formula C22H22ClNO2S2 and a molecular weight of 432.01 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID22202209
Molecular FormulaC22H22ClNO2S2
Molecular Weight432.01 g/mol
Exact Mass431.08
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1C
InChIInChI=1S/C22H22ClNO2S2/c1-14-13-15(2)17(4)22(16(14)3)28(25,26)24-20-7-5-6-8-21(20)27-19-11-9-18(23)10-12-19/h5-13,24H,1-4H3
InChIKeyLMYFXWFKLXSFSA-UHFFFAOYSA-N
XLogP6.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.01
LogP ≤ 56.53
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
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
CID 22202182
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 3496622
N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 22774422
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201415
2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202725
1-N-methyl-4-N-(2-phenylsulfanylphenyl)benzene-1,4-disulfonamide
CID 25331209
1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene
CID 22947184
4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 60640706
2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
CID 18133365

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 22202209) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1C.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is LMYFXWFKLXSFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2S2/c1-14-13-15(2)17(4)22(16(14)3)28(25,26)24-20-7-5-6-8-21(20)27-19-11-9-18(23)10-12-19/h5-13,24H,1-4H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 432.01 g/mol, XLogP of 6.53, 5 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]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 22202209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).