[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium

C18H24N3O3S+ — CID 9191327

IUPAC[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-14(22)20-17-8-10-18(11-9-17)25(23,24)19-12-15-4-6-16(7-5-15)13-21(2)3/h4-11,19H,12-13H2,1-3H3,(H,20,22)/p+1
InChIKeyTVTPFPKYPCHUDD-UHFFFAOYSA-O
MW362.48 g/mol
LogP0.77
Rot. Bonds7

About [4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium

[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9191327) has the molecular formula C18H24N3O3S+ and a molecular weight of 362.48 g/mol. Its IUPAC name is [4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9191327
Molecular FormulaC18H24N3O3S+
Molecular Weight362.48 g/mol
Exact Mass362.15
IUPAC Name[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-14(22)20-17-8-10-18(11-9-17)25(23,24)19-12-15-4-6-16(7-5-15)13-21(2)3/h4-11,19H,12-13H2,1-3H3,(H,20,22)/p+1
InChIKeyTVTPFPKYPCHUDD-UHFFFAOYSA-O
XLogP0.77
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191389
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816
[4-[[(4-cyanophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191393
[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191371
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 4929109
2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium (CID 9191327) is [4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)cc1.
What is the InChIKey of [4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is TVTPFPKYPCHUDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O3S/c1-14(22)20-17-8-10-18(11-9-17)25(23,24)19-12-15-4-6-16(7-5-15)13-21(2)3/h4-11,19H,12-13H2,1-3H3,(H,20,22)/p+1.
What are the key properties of [4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 362.48 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9191327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).