[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

C16H21ClN3O4S+ — CID 7995548

IUPAC[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)C[NH+](C)Cc2ccco2)ccc1Cl
InChIInChI=1S/C16H20ClN3O4S/c1-19(2)25(22,23)15-9-12(6-7-14(15)17)18-16(21)11-20(3)10-13-5-4-8-24-13/h4-9H,10-11H2,1-3H3,(H,18,21)/p+1
InChIKeyJGUZGBOVNPAFCZ-UHFFFAOYSA-O
MW386.88 g/mol
LogP0.84
Rot. Bonds7

About [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (PubChem CID 7995548) has the molecular formula C16H21ClN3O4S+ and a molecular weight of 386.88 g/mol. Its IUPAC name is [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.

Molecular Properties

Compound Name[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
PubChem CID7995548
Molecular FormulaC16H21ClN3O4S+
Molecular Weight386.88 g/mol
Exact Mass386.09
IUPAC Name[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)C[NH+](C)Cc2ccco2)ccc1Cl
InChIInChI=1S/C16H20ClN3O4S/c1-19(2)25(22,23)15-9-12(6-7-14(15)17)18-16(21)11-20(3)10-13-5-4-8-24-13/h4-9H,10-11H2,1-3H3,(H,18,21)/p+1
InChIKeyJGUZGBOVNPAFCZ-UHFFFAOYSA-O
XLogP0.84
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8620955
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 2699988
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8620722
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333255
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 7810899
1-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(furan-2-ylmethyl)thiourea
CID 8750030
2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 7810608
[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484

Frequently Asked Questions

What is the IUPAC name of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The IUPAC name of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (CID 7995548) is [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.
What is the SMILES notation for [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The canonical SMILES for [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+](C)Cc2ccco2)ccc1Cl.
What is the InChIKey of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The InChIKey is JGUZGBOVNPAFCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20ClN3O4S/c1-19(2)25(22,23)15-9-12(6-7-14(15)17)18-16(21)11-20(3)10-13-5-4-8-24-13/h4-9H,10-11H2,1-3H3,(H,18,21)/p+1.
What are the key properties of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium has a molecular weight of 386.88 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is sourced from PubChem (CID 7995548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).