4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide

C24H28N2O4S2 — CID 22202745

IUPAC4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)c(C)c1
InChIInChI=1S/C24H28N2O4S2/c1-16(2)20-6-10-22(11-7-20)31(27,28)25-21-8-12-23(13-9-21)32(29,30)26-24-18(4)14-17(3)15-19(24)5/h6-16,25-26H,1-5H3
InChIKeyBOZAPSGLISUEGU-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.34
Rot. Bonds7

About 4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide

4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 22202745) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID22202745
Molecular FormulaC24H28N2O4S2
Molecular Weight472.63 g/mol
Exact Mass472.15
IUPAC Name4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)c(C)c1
InChIInChI=1S/C24H28N2O4S2/c1-16(2)20-6-10-22(11-7-20)31(27,28)25-21-8-12-23(13-9-21)32(29,30)26-24-18(4)14-17(3)15-19(24)5/h6-16,25-26H,1-5H3
InChIKeyBOZAPSGLISUEGU-UHFFFAOYSA-N
XLogP5.34
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
4-chloro-2,5-dimethyl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202783
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 22202772

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide (CID 22202745) is 4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)c(C)c1.
What is the InChIKey of 4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is BOZAPSGLISUEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c1-16(2)20-6-10-22(11-7-20)31(27,28)25-21-8-12-23(13-9-21)32(29,30)26-24-18(4)14-17(3)15-19(24)5/h6-16,25-26H,1-5H3.
What are the key properties of 4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 472.63 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 22202745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).