2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide

C12H13BrClN3O3S — CID 106086603

IUPAC2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ncccc2Cl)c(Br)o1
InChIInChI=1S/C12H13BrClN3O3S/c1-2-15-7-8-6-10(11(13)20-8)21(18,19)17-12-9(14)4-3-5-16-12/h3-6,15H,2,7H2,1H3,(H,16,17)
InChIKeyNLFNRTLOAPOEDL-UHFFFAOYSA-N
MW394.68 g/mol
LogP3.00
Rot. Bonds6

About 2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide

2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide (PubChem CID 106086603) has the molecular formula C12H13BrClN3O3S and a molecular weight of 394.68 g/mol. Its IUPAC name is 2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide
PubChem CID106086603
Molecular FormulaC12H13BrClN3O3S
Molecular Weight394.68 g/mol
Exact Mass392.95
IUPAC Name2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ncccc2Cl)c(Br)o1
InChIInChI=1S/C12H13BrClN3O3S/c1-2-15-7-8-6-10(11(13)20-8)21(18,19)17-12-9(14)4-3-5-16-12/h3-6,15H,2,7H2,1H3,(H,16,17)
InChIKeyNLFNRTLOAPOEDL-UHFFFAOYSA-N
XLogP3.00
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
CID 106081790
5-(aminomethyl)-2-bromo-N-(3-bromo-2-pyridinyl)furan-3-sulfonamide
CID 106062158
2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide
CID 106029405
N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106086657
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
CID 106033085
2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide
CID 106084083
N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 106086586
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 103093987
2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
CID 106013304
3-chloro-N-(ethylsulfamoyl)pyridin-2-amine
CID 103094532
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 114141319

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide (CID 106086603) is 2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2ncccc2Cl)c(Br)o1.
What is the InChIKey of 2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide?
The InChIKey is NLFNRTLOAPOEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O3S/c1-2-15-7-8-6-10(11(13)20-8)21(18,19)17-12-9(14)4-3-5-16-12/h3-6,15H,2,7H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide?
2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide has a molecular weight of 394.68 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106086603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).