2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide

C23H26N2O4S2 — CID 22772989

IUPAC2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1
InChIInChI=1S/C23H26N2O4S2/c1-15-6-12-22(13-7-15)30(26,27)24-20-8-10-21(11-9-20)25-31(28,29)23-18(4)16(2)14-17(3)19(23)5/h6-14,24-25H,1-5H3
InChIKeySQQXXHXRKQJEHF-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.83
Rot. Bonds6

About 2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide (PubChem CID 22772989) has the molecular formula C23H26N2O4S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
PubChem CID22772989
Molecular FormulaC23H26N2O4S2
Molecular Weight458.61 g/mol
Exact Mass458.13
IUPAC Name2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1
InChIInChI=1S/C23H26N2O4S2/c1-15-6-12-22(13-7-15)30(26,27)24-20-8-10-21(11-9-20)25-31(28,29)23-18(4)16(2)14-17(3)19(23)5/h6-14,24-25H,1-5H3
InChIKeySQQXXHXRKQJEHF-UHFFFAOYSA-N
XLogP4.83
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202725
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19683718
2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683682
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
2,3,5,6-tetramethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 17301180
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide (CID 22772989) is 2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The InChIKey is SQQXXHXRKQJEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S2/c1-15-6-12-22(13-7-15)30(26,27)24-20-8-10-21(11-9-20)25-31(28,29)23-18(4)16(2)14-17(3)19(23)5/h6-14,24-25H,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide has a molecular weight of 458.61 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 22772989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).