N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide

C12H13BrN2O3S — CID 43725286

IUPACN-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C12H13BrN2O3S/c1-19(16,17)15-10-4-2-9(3-5-10)14-8-11-6-7-12(13)18-11/h2-7,14-15H,8H2,1H3
InChIKeyXGPQEIIKRUCZCJ-UHFFFAOYSA-N
MW345.22 g/mol
LogP3.03
Rot. Bonds5

About N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide

N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 43725286) has the molecular formula C12H13BrN2O3S and a molecular weight of 345.22 g/mol. Its IUPAC name is N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID43725286
Molecular FormulaC12H13BrN2O3S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC NameN-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C12H13BrN2O3S/c1-19(16,17)15-10-4-2-9(3-5-10)14-8-11-6-7-12(13)18-11/h2-7,14-15H,8H2,1H3
InChIKeyXGPQEIIKRUCZCJ-UHFFFAOYSA-N
XLogP3.03
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide (CID 43725286) is N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NCc2ccc(Br)o2)cc1.
What is the InChIKey of N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is XGPQEIIKRUCZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S/c1-19(16,17)15-10-4-2-9(3-5-10)14-8-11-6-7-12(13)18-11/h2-7,14-15H,8H2,1H3.
What are the key properties of N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide?
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 345.22 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43725286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).