2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide

C10H14BrN5O3S — CID 106013304

IUPAC2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCc2ncn[nH]2)c(Br)o1
InChIInChI=1S/C10H14BrN5O3S/c1-2-12-4-7-3-8(10(11)19-7)20(17,18)15-5-9-13-6-14-16-9/h3,6,12,15H,2,4-5H2,1H3,(H,13,14,16)
InChIKeyIXEIBHSZEKMHDN-UHFFFAOYSA-N
MW364.23 g/mol
LogP0.75
Rot. Bonds7

About 2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide

2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide (PubChem CID 106013304) has the molecular formula C10H14BrN5O3S and a molecular weight of 364.23 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
PubChem CID106013304
Molecular FormulaC10H14BrN5O3S
Molecular Weight364.23 g/mol
Exact Mass363.00
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCc2ncn[nH]2)c(Br)o1
InChIInChI=1S/C10H14BrN5O3S/c1-2-12-4-7-3-8(10(11)19-7)20(17,18)15-5-9-13-6-14-16-9/h3,6,12,15H,2,4-5H2,1H3,(H,13,14,16)
InChIKeyIXEIBHSZEKMHDN-UHFFFAOYSA-N
XLogP0.75
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106068044
4-(ethylaminomethyl)-2-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013479
2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
CID 106081790
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 114141319
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
CID 106079980
3-(ethylaminomethyl)-5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106013540
4-chloro-3-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013274
2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 61113449
4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 60982560
2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 81245663
2-bromo-N-(1,4-dioxan-2-ylmethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106016690
2,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883734

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide (CID 106013304) is 2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCc2ncn[nH]2)c(Br)o1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide?
The InChIKey is IXEIBHSZEKMHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN5O3S/c1-2-12-4-7-3-8(10(11)19-7)20(17,18)15-5-9-13-6-14-16-9/h3,6,12,15H,2,4-5H2,1H3,(H,13,14,16).
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide has a molecular weight of 364.23 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide is sourced from PubChem (CID 106013304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).