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

C9H10BrClFN3O3S — CID 103077289

IUPAC2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F)C(N)=O
InChIInChI=1S/C9H10BrClFN3O3S/c1-3(9(14)16)15-19(17,18)5-2-4(11)6(10)8(13)7(5)12/h2-3,15H,13H2,1H3,(H2,14,16)
InChIKeyHUAYMIKPEQOLMR-UHFFFAOYSA-N
MW374.62 g/mol
LogP0.98
Rot. Bonds4

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

2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide (PubChem CID 103077289) has the molecular formula C9H10BrClFN3O3S and a molecular weight of 374.62 g/mol. Its IUPAC name is 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide
PubChem CID103077289
Molecular FormulaC9H10BrClFN3O3S
Molecular Weight374.62 g/mol
Exact Mass372.93
IUPAC Name2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F)C(N)=O
InChIInChI=1S/C9H10BrClFN3O3S/c1-3(9(14)16)15-19(17,18)5-2-4(11)6(10)8(13)7(5)12/h2-3,15H,13H2,1H3,(H2,14,16)
InChIKeyHUAYMIKPEQOLMR-UHFFFAOYSA-N
XLogP0.98
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.62
LogP ≤ 50.98
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

methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanoate
CID 103077410
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 103077310
3-amino-4-bromo-N-but-3-en-2-yl-5-chloro-2-fluorobenzenesulfonamide
CID 103077680
3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 106164884
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 103077298
3-amino-4-bromo-5-chloro-2-fluoro-N-heptan-2-ylbenzenesulfonamide
CID 103077309
3-amino-4-bromo-5-chloro-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106181239
methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]acetate
CID 103077167
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-methyl-N-propan-2-ylbenzenesulfonamide
CID 103077166
3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 103077280
3-amino-4-bromo-5-chloro-N-(2,2-dimethylpropyl)-2-fluorobenzenesulfonamide
CID 103077381

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide (CID 103077289) is 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F)C(N)=O.
What is the InChIKey of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is HUAYMIKPEQOLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFN3O3S/c1-3(9(14)16)15-19(17,18)5-2-4(11)6(10)8(13)7(5)12/h2-3,15H,13H2,1H3,(H2,14,16).
What are the key properties of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide?
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 374.62 g/mol, XLogP of 0.98, 4 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]propanamide is sourced from PubChem (CID 103077289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).