2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide

C10H13ClFN3O3S — CID 43374777

IUPAC2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN3O3S/c1-14-9(16)5-15(2)19(17,18)8-4-6(13)3-7(11)10(8)12/h3-4H,5,13H2,1-2H3,(H,14,16)
InChIKeyASOMXTWHDCRWPR-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.43
Rot. Bonds4

About 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide

2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 43374777) has the molecular formula C10H13ClFN3O3S and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID43374777
Molecular FormulaC10H13ClFN3O3S
Molecular Weight309.75 g/mol
Exact Mass309.04
IUPAC Name2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN3O3S/c1-14-9(16)5-15(2)19(17,18)8-4-6(13)3-7(11)10(8)12/h3-4H,5,13H2,1-2H3,(H,14,16)
InChIKeyASOMXTWHDCRWPR-UHFFFAOYSA-N
XLogP0.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 1289819
N-(3-chlorophenyl)-2-[[(4-fluorophenyl)sulfonyl](methyl)amino]acetamide
CID 1006024
N~2~-(3-chloro-4-fluorophenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2985121
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylacetamide
CID 5091824
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8349497
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 8350833
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 8351378
2-[(3-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 8351386
(2S)-2-(3-chloro-4-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8483405
(2R)-2-(3-chloro-4-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8483406
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-propylacetamide
CID 8991616
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-butylacetamide
CID 8991617

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 43374777) is 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is ASOMXTWHDCRWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O3S/c1-14-9(16)5-15(2)19(17,18)8-4-6(13)3-7(11)10(8)12/h3-4H,5,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 309.75 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 43374777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).