(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium

C16H18Cl2N3O3S+ — CID 9197024

IUPAC(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O3S/c1-21(9-11-5-6-12(17)7-15(11)18)10-16(22)20-13-3-2-4-14(8-13)25(19,23)24/h2-8H,9-10H2,1H3,(H,20,22)(H2,19,23,24)/p+1
InChIKeyFEGOGTSZTFBMND-UHFFFAOYSA-O
MW403.31 g/mol
LogP1.29
Rot. Bonds6

About (2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium

(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium (PubChem CID 9197024) has the molecular formula C16H18Cl2N3O3S+ and a molecular weight of 403.31 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
PubChem CID9197024
Molecular FormulaC16H18Cl2N3O3S+
Molecular Weight403.31 g/mol
Exact Mass402.04
IUPAC Name(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O3S/c1-21(9-11-5-6-12(17)7-15(11)18)10-16(22)20-13-3-2-4-14(8-13)25(19,23)24/h2-8H,9-10H2,1H3,(H,20,22)(H2,19,23,24)/p+1
InChIKeyFEGOGTSZTFBMND-UHFFFAOYSA-O
XLogP1.29
TPSA93.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9197414
(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196917
(4-bromophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9040443
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8805412
2-(2,5-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7185045
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9251237
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
(2,4-dichlorophenyl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methylazanium
CID 9196894
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057793
[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251257

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The IUPAC name of (2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium (CID 9197024) is (2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The canonical SMILES for (2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium is C[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The InChIKey is FEGOGTSZTFBMND-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17Cl2N3O3S/c1-21(9-11-5-6-12(17)7-15(11)18)10-16(22)20-13-3-2-4-14(8-13)25(19,23)24/h2-8H,9-10H2,1H3,(H,20,22)(H2,19,23,24)/p+1.
What are the key properties of (2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium has a molecular weight of 403.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium is sourced from PubChem (CID 9197024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).