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

C9H10BrClFN3O4S — CID 106164884

IUPAC3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C9H10BrClFN3O4S/c10-6-3(11)1-5(7(12)8(6)13)20(18,19)15-2-4(16)9(14)17/h1,4,15-16H,2,13H2,(H2,14,17)
InChIKeyCKEFWCHUZZZCPZ-UHFFFAOYSA-N
MW390.62 g/mol
LogP-0.05
Rot. Bonds5

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

3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide (PubChem CID 106164884) has the molecular formula C9H10BrClFN3O4S and a molecular weight of 390.62 g/mol. Its IUPAC name is 3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide
PubChem CID106164884
Molecular FormulaC9H10BrClFN3O4S
Molecular Weight390.62 g/mol
Exact Mass388.92
IUPAC Name3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C9H10BrClFN3O4S/c10-6-3(11)1-5(7(12)8(6)13)20(18,19)15-2-4(16)9(14)17/h1,4,15-16H,2,13H2,(H2,14,17)
InChIKeyCKEFWCHUZZZCPZ-UHFFFAOYSA-N
XLogP-0.05
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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]propanamide
CID 103077289
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-(2-methylsulfinylpropyl)benzenesulfonamide
CID 103077682
methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]acetate
CID 103077167
3-amino-4-bromo-5-chloro-N-(2,2-dimethylpropyl)-2-fluorobenzenesulfonamide
CID 103077381
methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanoate
CID 103077410
3-amino-4-bromo-5-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103077618
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 103077297
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid
CID 106168195
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid
CID 106168352
3-amino-4-bromo-5-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 103077726
3-amino-4-bromo-5-chloro-2-fluoro-N-hexylbenzenesulfonamide
CID 103077353

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide (CID 106164884) is 3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide is NC(=O)C(O)CNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F.
What is the InChIKey of 3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide?
The InChIKey is CKEFWCHUZZZCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFN3O4S/c10-6-3(11)1-5(7(12)8(6)13)20(18,19)15-2-4(16)9(14)17/h1,4,15-16H,2,13H2,(H2,14,17).
What are the key properties of 3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide?
3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide has a molecular weight of 390.62 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106164884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).