(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium

C18H22Cl2N3O3S+ — CID 2699988

IUPAC(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H21Cl2N3O3S/c1-22(2)27(25,26)15-7-5-14(6-8-15)21-18(24)12-23(3)11-13-4-9-16(19)17(20)10-13/h4-10H,11-12H2,1-3H3,(H,21,24)/p+1
InChIKeyNUFWCRFKVQQYAW-UHFFFAOYSA-O
MW431.37 g/mol
LogP1.90
Rot. Bonds7

About (3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium

(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium (PubChem CID 2699988) has the molecular formula C18H22Cl2N3O3S+ and a molecular weight of 431.37 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
PubChem CID2699988
Molecular FormulaC18H22Cl2N3O3S+
Molecular Weight431.37 g/mol
Exact Mass430.08
IUPAC Name(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H21Cl2N3O3S/c1-22(2)27(25,26)15-7-5-14(6-8-15)21-18(24)12-23(3)11-13-4-9-16(19)17(20)10-13/h4-10H,11-12H2,1-3H3,(H,21,24)/p+1
InChIKeyNUFWCRFKVQQYAW-UHFFFAOYSA-O
XLogP1.90
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714126
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432127
(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9251237
(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9251455
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9289313
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 2658737
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431466
(2-chloro-6-fluorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9197276
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 7995548
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253307
2-(2,6-dichlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672915

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium?
The IUPAC name of (3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium (CID 2699988) is (3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium is CN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium?
The InChIKey is NUFWCRFKVQQYAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21Cl2N3O3S/c1-22(2)27(25,26)15-7-5-14(6-8-15)21-18(24)12-23(3)11-13-4-9-16(19)17(20)10-13/h4-10H,11-12H2,1-3H3,(H,21,24)/p+1.
What are the key properties of (3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium?
(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium has a molecular weight of 431.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 2699988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).