N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide

C18H24N2O2S — CID 112986671

IUPACN-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H24N2O2S/c1-5-10-23(21,22)20-17-8-6-16(7-9-17)19-18-14(3)11-13(2)12-15(18)4/h6-9,11-12,19-20H,5,10H2,1-4H3
InChIKeyNEGYAYZDXSIBLB-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.51
Rot. Bonds6

About N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide

N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide (PubChem CID 112986671) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
PubChem CID112986671
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H24N2O2S/c1-5-10-23(21,22)20-17-8-6-16(7-9-17)19-18-14(3)11-13(2)12-15(18)4/h6-9,11-12,19-20H,5,10H2,1-4H3
InChIKeyNEGYAYZDXSIBLB-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
CID 112987192
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 22202772
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
CID 112989746
2-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 43134191
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide
CID 60640320
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide (CID 112986671) is N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide?
The InChIKey is NEGYAYZDXSIBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-5-10-23(21,22)20-17-8-6-16(7-9-17)19-18-14(3)11-13(2)12-15(18)4/h6-9,11-12,19-20H,5,10H2,1-4H3.
What are the key properties of N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide?
N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide has a molecular weight of 332.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112986671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).