[4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium

C18H22ClN2O2S+ — CID 9191409

IUPAC[4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-21(2)14-17-5-3-16(4-6-17)13-20-24(22,23)12-11-15-7-9-18(19)10-8-15/h3-12,20H,13-14H2,1-2H3/p+1/b12-11+
InChIKeyFSJDUZNAEQGNHV-VAWYXSNFSA-O
MW365.91 g/mol
LogP2.07
Rot. Bonds7

About [4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium

[4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9191409) has the molecular formula C18H22ClN2O2S+ and a molecular weight of 365.91 g/mol. Its IUPAC name is [4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9191409
Molecular FormulaC18H22ClN2O2S+
Molecular Weight365.91 g/mol
Exact Mass365.11
IUPAC Name[4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-21(2)14-17-5-3-16(4-6-17)13-20-24(22,23)12-11-15-7-9-18(19)10-8-15/h3-12,20H,13-14H2,1-2H3/p+1/b12-11+
InChIKeyFSJDUZNAEQGNHV-VAWYXSNFSA-O
XLogP2.07
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide
CID 91942582
2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide
CID 76924210
(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
CID 32940502
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191359
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
(E)-2-(4-chlorophenyl)-N-(4-ethylphenyl)ethenesulfonamide
CID 26970345
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide
CID 31841750
[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191387
(E)-2-(4-chlorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]ethenesulfonamide
CID 55914931
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715

Frequently Asked Questions

What is the IUPAC name of [4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium (CID 9191409) is [4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccc(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is FSJDUZNAEQGNHV-VAWYXSNFSA-O. The full InChI is InChI=1S/C18H21ClN2O2S/c1-21(2)14-17-5-3-16(4-6-17)13-20-24(22,23)12-11-15-7-9-18(19)10-8-15/h3-12,20H,13-14H2,1-2H3/p+1/b12-11+.
What are the key properties of [4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
[4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 365.91 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9191409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).