2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide

C11H14BrClFN3O3S — CID 103077297

IUPAC2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C11H14BrClFN3O3S/c1-2-3-16-8(18)5-17-21(19,20)7-4-6(13)9(12)11(15)10(7)14/h4,17H,2-3,5,15H2,1H3,(H,16,18)
InChIKeyQOENIZQIHGSKSS-UHFFFAOYSA-N
MW402.67 g/mol
LogP1.63
Rot. Bonds6

About 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide

2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide (PubChem CID 103077297) has the molecular formula C11H14BrClFN3O3S and a molecular weight of 402.67 g/mol. Its IUPAC name is 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide
PubChem CID103077297
Molecular FormulaC11H14BrClFN3O3S
Molecular Weight402.67 g/mol
Exact Mass400.96
IUPAC Name2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C11H14BrClFN3O3S/c1-2-3-16-8(18)5-17-21(19,20)7-4-6(13)9(12)11(15)10(7)14/h4,17H,2-3,5,15H2,1H3,(H,16,18)
InChIKeyQOENIZQIHGSKSS-UHFFFAOYSA-N
XLogP1.63
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.67
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 103077298
methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]acetate
CID 103077167
3-amino-4-bromo-5-chloro-2-fluoro-N-hexylbenzenesulfonamide
CID 103077353
3-amino-4-bromo-5-chloro-N-(2,2-dimethylpropyl)-2-fluorobenzenesulfonamide
CID 103077381
3-amino-4-bromo-5-chloro-N-(2-ethoxy-2-methylpropyl)-2-fluorobenzenesulfonamide
CID 103077770
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 43567163
3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 106164884
3-amino-4-bromo-5-chloro-N-[4-(dimethylamino)butyl]-2-fluorobenzenesulfonamide
CID 103077439
3-amino-4-bromo-5-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165237
3-amino-4-bromo-5-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103077618
3-amino-4-bromo-5-chloro-2-fluoro-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 103077740

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide (CID 103077297) is 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F.
What is the InChIKey of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide?
The InChIKey is QOENIZQIHGSKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFN3O3S/c1-2-3-16-8(18)5-17-21(19,20)7-4-6(13)9(12)11(15)10(7)14/h4,17H,2-3,5,15H2,1H3,(H,16,18).
What are the key properties of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide?
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide has a molecular weight of 402.67 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 103077297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).