(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium

C16H18ClFN3O3S+ — CID 9197414

IUPAC(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN3O3S/c1-21(9-13-14(17)6-3-7-15(13)18)10-16(22)20-11-4-2-5-12(8-11)25(19,23)24/h2-8H,9-10H2,1H3,(H,20,22)(H2,19,23,24)/p+1
InChIKeyYSPUWPUXGAEJOS-UHFFFAOYSA-O
MW386.86 g/mol
LogP0.78
Rot. Bonds6

About (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium

(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium (PubChem CID 9197414) has the molecular formula C16H18ClFN3O3S+ and a molecular weight of 386.86 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
PubChem CID9197414
Molecular FormulaC16H18ClFN3O3S+
Molecular Weight386.86 g/mol
Exact Mass386.07
IUPAC Name(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN3O3S/c1-21(9-13-14(17)6-3-7-15(13)18)10-16(22)20-11-4-2-5-12(8-11)25(19,23)24/h2-8H,9-10H2,1H3,(H,20,22)(H2,19,23,24)/p+1
InChIKeyYSPUWPUXGAEJOS-UHFFFAOYSA-O
XLogP0.78
TPSA93.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-fluorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9197276
(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9197024
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
(2-chloro-6-fluorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9197236
(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2657931
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
(4-bromophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9040443
(2-chloro-6-fluorophenyl)methyl-methyl-[2-(4-nitroanilino)-2-oxoethyl]azanium
CID 9197353
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197253
(2-fluorophenyl)methyl-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 9035155
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8805412
(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9197321

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium (CID 9197414) is (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium is C[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The InChIKey is YSPUWPUXGAEJOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17ClFN3O3S/c1-21(9-13-14(17)6-3-7-15(13)18)10-16(22)20-11-4-2-5-12(8-11)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-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium has a molecular weight of 386.86 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium is sourced from PubChem (CID 9197414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).