2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide

C10H14BrN5O3S — CID 106068044

IUPAC2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCc2ncn[nH]2)c(Br)o1
InChIInChI=1S/C10H14BrN5O3S/c1-12-5-7-4-8(10(11)19-7)20(17,18)15-3-2-9-13-6-14-16-9/h4,6,12,15H,2-3,5H2,1H3,(H,13,14,16)
InChIKeyYJMWLHJEPVBREF-UHFFFAOYSA-N
MW364.23 g/mol
LogP0.40
Rot. Bonds7

About 2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide

2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide (PubChem CID 106068044) has the molecular formula C10H14BrN5O3S and a molecular weight of 364.23 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
PubChem CID106068044
Molecular FormulaC10H14BrN5O3S
Molecular Weight364.23 g/mol
Exact Mass363.00
IUPAC Name2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCc2ncn[nH]2)c(Br)o1
InChIInChI=1S/C10H14BrN5O3S/c1-12-5-7-4-8(10(11)19-7)20(17,18)15-3-2-9-13-6-14-16-9/h4,6,12,15H,2-3,5H2,1H3,(H,13,14,16)
InChIKeyYJMWLHJEPVBREF-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
CID 106013304
2-methyl-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106067958
5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106067984
2-chloro-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106067992
5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide
CID 106068159
4-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531771
3-amino-2-bromo-5-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64519149
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64525350
2-bromo-N-[(4-chlorophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106023358
2-amino-4-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518578
4-bromo-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529312

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide (CID 106068044) is 2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCc2ncn[nH]2)c(Br)o1.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide?
The InChIKey is YJMWLHJEPVBREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN5O3S/c1-12-5-7-4-8(10(11)19-7)20(17,18)15-3-2-9-13-6-14-16-9/h4,6,12,15H,2-3,5H2,1H3,(H,13,14,16).
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide?
2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide has a molecular weight of 364.23 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide is sourced from PubChem (CID 106068044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).