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

C11H14BrClFN3O3S — CID 103077310

IUPAC2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCC(NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F)C(=O)N(C)C
InChIInChI=1S/C11H14BrClFN3O3S/c1-5(11(18)17(2)3)16-21(19,20)7-4-6(13)8(12)10(15)9(7)14/h4-5,16H,15H2,1-3H3
InChIKeyTXAIXQMWUMFIGZ-UHFFFAOYSA-N
MW402.67 g/mol
LogP1.58
Rot. Bonds4

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

2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 103077310) 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,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID103077310
Molecular FormulaC11H14BrClFN3O3S
Molecular Weight402.67 g/mol
Exact Mass400.96
IUPAC Name2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCC(NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F)C(=O)N(C)C
InChIInChI=1S/C11H14BrClFN3O3S/c1-5(11(18)17(2)3)16-21(19,20)7-4-6(13)8(12)10(15)9(7)14/h4-5,16H,15H2,1-3H3
InChIKeyTXAIXQMWUMFIGZ-UHFFFAOYSA-N
XLogP1.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.67
LogP ≤ 51.58
H-Bond Donors ≤ 52
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]propanamide
CID 103077289
methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanoate
CID 103077410
3-amino-4-bromo-N-but-3-en-2-yl-5-chloro-2-fluorobenzenesulfonamide
CID 103077680
3-amino-4-bromo-5-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 103077166
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47203596
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
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304636
3-amino-4-bromo-N-butan-2-yl-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 103077254
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 103077310) is 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide is CC(NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F)C(=O)N(C)C.
What is the InChIKey of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is TXAIXQMWUMFIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFN3O3S/c1-5(11(18)17(2)3)16-21(19,20)7-4-6(13)8(12)10(15)9(7)14/h4-5,16H,15H2,1-3H3.
What are the key properties of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 402.67 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 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,N-dimethylpropanamide is sourced from PubChem (CID 103077310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).