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

5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
Sulfanilamide, N(sup 4)-furfuryl-
CID 3059601
5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 822267
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromofuran-2-carboxamide
CID 1011853
5-bromo-N-(4-{[cyclohexyl(methyl)amino]sulfonyl}phenyl)-2-furamide
CID 1266786
5-bromo-N-(2-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}ethyl)furan-2-carboxamide
CID 22578905
1-[4-[4-[(5-Bromo-2-furanyl)methylamino]phenyl]-1-piperazinyl]ethanone
CID 44142155
N-(2-anilino-2-oxoethyl)-5-bromofuran-2-carboxamide
CID 2232400
5-bromo-N-[4-(4-morpholinylsulfonyl)phenyl]-2-furamide
CID 1154227
4-bromo-N-(furan-2-ylmethyl)aniline
CID 792092
5-bromo-N-(2-((4-phenylpiperazin-1-yl)sulfonyl)ethyl)furan-2-carboxamide
CID 18565494
5-bromo-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 979832

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).