4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide

C13H16BrFN2O3S — CID 116528718

IUPAC4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESO=C(CCCNS(=O)(=O)c1ccc(Br)cc1F)NC1CC1
InChIInChI=1S/C13H16BrFN2O3S/c14-9-3-6-12(11(15)8-9)21(19,20)16-7-1-2-13(18)17-10-4-5-10/h3,6,8,10,16H,1-2,4-5,7H2,(H,17,18)
InChIKeyBPPNAQCJVUWXOG-UHFFFAOYSA-N
MW379.25 g/mol
LogP1.93
Rot. Bonds7

About 4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide

4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide (PubChem CID 116528718) has the molecular formula C13H16BrFN2O3S and a molecular weight of 379.25 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide
PubChem CID116528718
Molecular FormulaC13H16BrFN2O3S
Molecular Weight379.25 g/mol
Exact Mass378.00
IUPAC Name4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESO=C(CCCNS(=O)(=O)c1ccc(Br)cc1F)NC1CC1
InChIInChI=1S/C13H16BrFN2O3S/c14-9-3-6-12(11(15)8-9)21(19,20)16-7-1-2-13(18)17-10-4-5-10/h3,6,8,10,16H,1-2,4-5,7H2,(H,17,18)
InChIKeyBPPNAQCJVUWXOG-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 4-[(2,4-difluorophenyl)sulfonylamino]butanoate
CID 8537264
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-cyclohexylpropanamide
CID 55914836
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanethioamide
CID 116527556
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-N-[3-(2-chloroethoxy)propyl]-2-fluorobenzenesulfonamide
CID 114171196
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide (CID 116528718) is 4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide is O=C(CCCNS(=O)(=O)c1ccc(Br)cc1F)NC1CC1.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The InChIKey is BPPNAQCJVUWXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3S/c14-9-3-6-12(11(15)8-9)21(19,20)16-7-1-2-13(18)17-10-4-5-10/h3,6,8,10,16H,1-2,4-5,7H2,(H,17,18).
What are the key properties of 4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide?
4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide has a molecular weight of 379.25 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 116528718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).