N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide

C10H12ClFN2O2S — CID 113318138

IUPACN-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide
SMILESNCCNC(=O)CS(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O2S/c11-8-5-7(1-2-9(8)12)17(16)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyGFBWRNXFGKNITJ-UHFFFAOYSA-N
MW278.74 g/mol
LogP0.66
Rot. Bonds5

About N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide

N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide (PubChem CID 113318138) has the molecular formula C10H12ClFN2O2S and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide
PubChem CID113318138
Molecular FormulaC10H12ClFN2O2S
Molecular Weight278.74 g/mol
Exact Mass278.03
IUPAC NameN-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide
SMILESNCCNC(=O)CS(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O2S/c11-8-5-7(1-2-9(8)12)17(16)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyGFBWRNXFGKNITJ-UHFFFAOYSA-N
XLogP0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide
CID 2272364
4-(3-Chloro-4-fluorophenyl)sulfanylazetidin-2-one
CID 118526345
4-[2-(4-Chlorophenyl)sulfonylethyl]piperazin-2-one
CID 31372574
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 45798958
2-(4-chlorophenyl)sulfanyl-N-ethylacetamide
CID 875475
N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 4276412
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide
CID 4788862
3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide
CID 24685267
N-[3-[(3-chloro-2-fluorophenyl)sulfonylamino]propyl]acetamide
CID 39634783
3-(3-chloro-4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 45870604
3-(3-chlorophenyl)sulfonyl-N-ethylpropanamide
CID 72024994
(2S)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
CID 93619396

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide (CID 113318138) is N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide is NCCNC(=O)CS(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide?
The InChIKey is GFBWRNXFGKNITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2S/c11-8-5-7(1-2-9(8)12)17(16)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide?
N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide has a molecular weight of 278.74 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide is sourced from PubChem (CID 113318138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).