N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

C12H13BrF2N2O3S — CID 115572292

IUPACN-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNS(=O)(=O)c1c(F)cc(F)cc1Br)C1CC1
InChIInChI=1S/C12H13BrF2N2O3S/c13-9-5-8(14)6-10(15)11(9)21(19,20)17-4-3-16-12(18)7-1-2-7/h5-7,17H,1-4H2,(H,16,18)
InChIKeyRSCWFKFXBIABBT-UHFFFAOYSA-N
MW383.21 g/mol
LogP1.53
Rot. Bonds6

About N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115572292) has the molecular formula C12H13BrF2N2O3S and a molecular weight of 383.21 g/mol. Its IUPAC name is N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
PubChem CID115572292
Molecular FormulaC12H13BrF2N2O3S
Molecular Weight383.21 g/mol
Exact Mass381.98
IUPAC NameN-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNS(=O)(=O)c1c(F)cc(F)cc1Br)C1CC1
InChIInChI=1S/C12H13BrF2N2O3S/c13-9-5-8(14)6-10(15)11(9)21(19,20)17-4-3-16-12(18)7-1-2-7/h5-7,17H,1-4H2,(H,16,18)
InChIKeyRSCWFKFXBIABBT-UHFFFAOYSA-N
XLogP1.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 51.53
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

N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 116530631
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
2-bromo-4,6-difluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106326852
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
CID 60628452
2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913911
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83040032
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
2-bromo-4,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606874

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (CID 115572292) is N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is O=C(NCCNS(=O)(=O)c1c(F)cc(F)cc1Br)C1CC1.
What is the InChIKey of N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is RSCWFKFXBIABBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O3S/c13-9-5-8(14)6-10(15)11(9)21(19,20)17-4-3-16-12(18)7-1-2-7/h5-7,17H,1-4H2,(H,16,18).
What are the key properties of N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 383.21 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115572292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).