2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide

C11H19BrN4O3S — CID 106075537

IUPAC2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NN2CCN(C)CC2)c(Br)o1
InChIInChI=1S/C11H19BrN4O3S/c1-13-8-9-7-10(11(12)19-9)20(17,18)14-16-5-3-15(2)4-6-16/h7,13-14H,3-6,8H2,1-2H3
InChIKeyCQRRZJXBCAPMFZ-UHFFFAOYSA-N
MW367.27 g/mol
LogP0.20
Rot. Bonds5

About 2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide

2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide (PubChem CID 106075537) has the molecular formula C11H19BrN4O3S and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide
PubChem CID106075537
Molecular FormulaC11H19BrN4O3S
Molecular Weight367.27 g/mol
Exact Mass366.04
IUPAC Name2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NN2CCN(C)CC2)c(Br)o1
InChIInChI=1S/C11H19BrN4O3S/c1-13-8-9-7-10(11(12)19-9)20(17,18)14-16-5-3-15(2)4-6-16/h7,13-14H,3-6,8H2,1-2H3
InChIKeyCQRRZJXBCAPMFZ-UHFFFAOYSA-N
XLogP0.20
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075338
2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83023744
2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78910879
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78909287
2-bromo-N-[(2-bromophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106051929
2-bromo-N-[(4-chlorophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106023358
2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147220
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106092477
2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
CID 106066783

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide (CID 106075537) is 2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)NN2CCN(C)CC2)c(Br)o1.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide?
The InChIKey is CQRRZJXBCAPMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O3S/c1-13-8-9-7-10(11(12)19-9)20(17,18)14-16-5-3-15(2)4-6-16/h7,13-14H,3-6,8H2,1-2H3.
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide?
2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide has a molecular weight of 367.27 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide is sourced from PubChem (CID 106075537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).