2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide

C12H16BrFN2O3S — CID 103697245

IUPAC2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O3S/c1-12(2,3)16-11(17)7-15-20(18,19)8-4-5-9(13)10(14)6-8/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyMDBBNDIFJHWYLH-UHFFFAOYSA-N
MW367.24 g/mol
LogP1.78
Rot. Bonds4

About 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide

2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide (PubChem CID 103697245) has the molecular formula C12H16BrFN2O3S and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
PubChem CID103697245
Molecular FormulaC12H16BrFN2O3S
Molecular Weight367.24 g/mol
Exact Mass366.00
IUPAC Name2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O3S/c1-12(2,3)16-11(17)7-15-20(18,19)8-4-5-9(13)10(14)6-8/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyMDBBNDIFJHWYLH-UHFFFAOYSA-N
XLogP1.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 103710320
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
CID 113242602
N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047
2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355917
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide
CID 115357166
2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355883
4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
CID 103697603
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
2-[(6-amino-3-pyridinyl)sulfonylamino]-N-tert-butylacetamide
CID 115355870
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
CID 9302289
N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327346

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide (CID 103697245) is 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide?
The InChIKey is MDBBNDIFJHWYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O3S/c1-12(2,3)16-11(17)7-15-20(18,19)8-4-5-9(13)10(14)6-8/h4-6,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide?
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide has a molecular weight of 367.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide is sourced from PubChem (CID 103697245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).