(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium

C18H23ClN3O3S+ — CID 9251237

IUPAC(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)C[NH+](C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O3S/c1-21(2)26(24,25)17-9-5-8-16(11-17)20-18(23)13-22(3)12-14-6-4-7-15(19)10-14/h4-11H,12-13H2,1-3H3,(H,20,23)/p+1
InChIKeyHHMVZAYFNXDRKG-UHFFFAOYSA-O
MW396.92 g/mol
LogP1.24
Rot. Bonds7

About (3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium

(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium (PubChem CID 9251237) has the molecular formula C18H23ClN3O3S+ and a molecular weight of 396.92 g/mol. Its IUPAC name is (3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
PubChem CID9251237
Molecular FormulaC18H23ClN3O3S+
Molecular Weight396.92 g/mol
Exact Mass396.11
IUPAC Name(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)C[NH+](C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O3S/c1-21(2)26(24,25)17-9-5-8-16(11-17)20-18(23)13-22(3)12-14-6-4-7-15(19)10-14/h4-11H,12-13H2,1-3H3,(H,20,23)/p+1
InChIKeyHHMVZAYFNXDRKG-UHFFFAOYSA-O
XLogP1.24
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251257
(2-chloro-6-fluorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9197276
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431466
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253307
(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 2699988
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9197024
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
(4-bromophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9040443
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 26252162

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium?
The IUPAC name of (3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium (CID 9251237) is (3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium is CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH+](C)Cc2cccc(Cl)c2)c1.
What is the InChIKey of (3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium?
The InChIKey is HHMVZAYFNXDRKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22ClN3O3S/c1-21(2)26(24,25)17-9-5-8-16(11-17)20-18(23)13-22(3)12-14-6-4-7-15(19)10-14/h4-11H,12-13H2,1-3H3,(H,20,23)/p+1.
What are the key properties of (3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium?
(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium has a molecular weight of 396.92 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9251237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).