2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide

C13H18BrFN2O3S — CID 107650371

IUPAC2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H18BrFN2O3S/c1-8(2)7-16-13(18)9(3)17-21(19,20)10-4-5-11(14)12(15)6-10/h4-6,8-9,17H,7H2,1-3H3,(H,16,18)
InChIKeyCRTIURACTJAYAG-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.03
Rot. Bonds6

About 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide

2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide (PubChem CID 107650371) has the molecular formula C13H18BrFN2O3S and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
PubChem CID107650371
Molecular FormulaC13H18BrFN2O3S
Molecular Weight381.27 g/mol
Exact Mass380.02
IUPAC Name2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H18BrFN2O3S/c1-8(2)7-16-13(18)9(3)17-21(19,20)10-4-5-11(14)12(15)6-10/h4-6,8-9,17H,7H2,1-3H3,(H,16,18)
InChIKeyCRTIURACTJAYAG-UHFFFAOYSA-N
XLogP2.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
4-bromo-3-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107649944
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
2-[(4-bromo-3-fluorophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107650373
4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid
CID 104936319
3-[(4-bromo-3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 104936328
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide (CID 107650371) is 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is CRTIURACTJAYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O3S/c1-8(2)7-16-13(18)9(3)17-21(19,20)10-4-5-11(14)12(15)6-10/h4-6,8-9,17H,7H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 381.27 g/mol, XLogP of 2.03, 6 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 107650371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).