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

C13H15BrN2O3S — CID 60931388

IUPACN-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C13H15BrN2O3S/c1-2-20(17,18)16-11-5-3-10(4-6-11)15-9-12-7-8-13(14)19-12/h3-8,15-16H,2,9H2,1H3
InChIKeyMXEIQCMFMFMXBK-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.42
Rot. Bonds6

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

N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide (PubChem CID 60931388) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide
PubChem CID60931388
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC NameN-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C13H15BrN2O3S/c1-2-20(17,18)16-11-5-3-10(4-6-11)15-9-12-7-8-13(14)19-12/h3-8,15-16H,2,9H2,1H3
InChIKeyMXEIQCMFMFMXBK-UHFFFAOYSA-N
XLogP3.42
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43725286
N-[(5-bromofuran-2-yl)methyl]-4-propylaniline
CID 28665805
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720757
4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934971
4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline
CID 107571841
4-ethylsulfonyl-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43782384
N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
N-[(5-bromofuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686632

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide (CID 60931388) is N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NCc2ccc(Br)o2)cc1.
What is the InChIKey of N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide?
The InChIKey is MXEIQCMFMFMXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-2-20(17,18)16-11-5-3-10(4-6-11)15-9-12-7-8-13(14)19-12/h3-8,15-16H,2,9H2,1H3.
What are the key properties of N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide?
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide has a molecular weight of 359.25 g/mol, XLogP of 3.42, 6 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]ethanesulfonamide is sourced from PubChem (CID 60931388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).