4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C19H26N2O4S2 — CID 22202772

IUPAC4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H26N2O4S2/c1-5-6-11-26(22,23)20-17-7-9-18(10-8-17)27(24,25)21-19-15(3)12-14(2)13-16(19)4/h7-10,12-13,20-21H,5-6,11H2,1-4H3
InChIKeyQIGQDEFNEFXCAD-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.95
Rot. Bonds8

About 4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide

4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 22202772) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID22202772
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC Name4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H26N2O4S2/c1-5-6-11-26(22,23)20-17-7-9-18(10-8-17)27(24,25)21-19-15(3)12-14(2)13-16(19)4/h7-10,12-13,20-21H,5-6,11H2,1-4H3
InChIKeyQIGQDEFNEFXCAD-UHFFFAOYSA-N
XLogP3.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butylsulfonylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 19683751
N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
CID 112986671
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
CID 112987192
[4-(butylsulfonylamino)phenyl] 4-methylbenzenesulfonate
CID 59375206
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide
CID 119972480
4-chloro-2,5-dimethyl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202783
N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
CID 119993076
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 22202772) is 4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide is CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is QIGQDEFNEFXCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-5-6-11-26(22,23)20-17-7-9-18(10-8-17)27(24,25)21-19-15(3)12-14(2)13-16(19)4/h7-10,12-13,20-21H,5-6,11H2,1-4H3.
What are the key properties of 4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide has a molecular weight of 410.56 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 22202772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).