2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide

C12H17ClFN3O3S — CID 115355879

IUPAC2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C12H17ClFN3O3S/c1-12(2,3)17-11(18)6-16-21(19,20)10-5-9(15)8(14)4-7(10)13/h4-5,16H,6,15H2,1-3H3,(H,17,18)
InChIKeyHDVXSZMBNAHAEC-UHFFFAOYSA-N
MW337.80 g/mol
LogP1.25
Rot. Bonds4

About 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide

2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide (PubChem CID 115355879) has the molecular formula C12H17ClFN3O3S and a molecular weight of 337.80 g/mol. Its IUPAC name is 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
PubChem CID115355879
Molecular FormulaC12H17ClFN3O3S
Molecular Weight337.80 g/mol
Exact Mass337.07
IUPAC Name2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C12H17ClFN3O3S/c1-12(2,3)17-11(18)6-16-21(19,20)10-5-9(15)8(14)4-7(10)13/h4-5,16H,6,15H2,1-3H3,(H,17,18)
InChIKeyHDVXSZMBNAHAEC-UHFFFAOYSA-N
XLogP1.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355883
2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355917
5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316367
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355937
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642
5-amino-2-chloro-4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479655
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557
5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425795
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide
CID 112994958

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide (CID 115355879) is 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide?
The InChIKey is HDVXSZMBNAHAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O3S/c1-12(2,3)17-11(18)6-16-21(19,20)10-5-9(15)8(14)4-7(10)13/h4-5,16H,6,15H2,1-3H3,(H,17,18).
What are the key properties of 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide?
2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide has a molecular weight of 337.80 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide is sourced from PubChem (CID 115355879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).