[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium

C18H23N2O3S+ — CID 9191371

IUPAC[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-14(21)17-5-4-6-18(11-17)24(22,23)19-12-15-7-9-16(10-8-15)13-20(2)3/h4-11,19H,12-13H2,1-3H3/p+1
InChIKeyNCVCFUTXGGZYGT-UHFFFAOYSA-O
MW347.46 g/mol
LogP1.01
Rot. Bonds7

About [4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium

[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9191371) has the molecular formula C18H23N2O3S+ and a molecular weight of 347.46 g/mol. Its IUPAC name is [4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9191371
Molecular FormulaC18H23N2O3S+
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-14(21)17-5-4-6-18(11-17)24(22,23)19-12-15-7-9-16(10-8-15)13-20(2)3/h4-11,19H,12-13H2,1-3H3/p+1
InChIKeyNCVCFUTXGGZYGT-UHFFFAOYSA-O
XLogP1.01
TPSA67.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665559
[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191389
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786455
3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785887
3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710722

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium (CID 9191371) is [4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium is CC(=O)c1cccc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)c1.
What is the InChIKey of [4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is NCVCFUTXGGZYGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O3S/c1-14(21)17-5-4-6-18(11-17)24(22,23)19-12-15-7-9-16(10-8-15)13-20(2)3/h4-11,19H,12-13H2,1-3H3/p+1.
What are the key properties of [4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 347.46 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9191371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).