N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide

C21H21NO2S2 — CID 7938385

IUPACN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C21H21NO2S2/c1-15-4-11-20(12-5-15)26(23,24)22-18-7-9-19(10-8-18)25-21-13-6-16(2)14-17(21)3/h4-14,22H,1-3H3
InChIKeyLQALPXHAVLEFQY-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.56
Rot. Bonds5

About N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide

N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide (PubChem CID 7938385) has the molecular formula C21H21NO2S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
PubChem CID7938385
Molecular FormulaC21H21NO2S2
Molecular Weight383.54 g/mol
Exact Mass383.10
IUPAC NameN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C21H21NO2S2/c1-15-4-11-20(12-5-15)26(23,24)22-18-7-9-19(10-8-18)25-21-13-6-16(2)14-17(21)3/h4-14,22H,1-3H3
InChIKeyLQALPXHAVLEFQY-UHFFFAOYSA-N
XLogP5.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[4-(2,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]-2-methylbenzoate
CID 7042288
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
CID 1051878
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(2,5-dimethylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 2978852
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide (CID 7938385) is N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)cc1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide?
The InChIKey is LQALPXHAVLEFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S2/c1-15-4-11-20(12-5-15)26(23,24)22-18-7-9-19(10-8-18)25-21-13-6-16(2)14-17(21)3/h4-14,22H,1-3H3.
What are the key properties of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide?
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide has a molecular weight of 383.54 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 7938385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).