3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide

C12H13BrN2O4S — CID 43743930

IUPAC3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NCc1ccc(Br)o1
InChIInChI=1S/C12H13BrN2O4S/c1-18-11-4-3-9(20(14,16)17)6-10(11)15-7-8-2-5-12(13)19-8/h2-6,15H,7H2,1H3,(H2,14,16,17)
InChIKeyPXIFLEODCOHWTG-UHFFFAOYSA-N
MW361.22 g/mol
LogP2.31
Rot. Bonds5

About 3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide

3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide (PubChem CID 43743930) has the molecular formula C12H13BrN2O4S and a molecular weight of 361.22 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide
PubChem CID43743930
Molecular FormulaC12H13BrN2O4S
Molecular Weight361.22 g/mol
Exact Mass359.98
IUPAC Name3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NCc1ccc(Br)o1
InChIInChI=1S/C12H13BrN2O4S/c1-18-11-4-3-9(20(14,16)17)6-10(11)15-7-8-2-5-12(13)19-8/h2-6,15H,7H2,1H3,(H2,14,16,17)
InChIKeyPXIFLEODCOHWTG-UHFFFAOYSA-N
XLogP2.31
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,5-dibromothiophen-2-yl)methylamino]-4-methoxybenzenesulfonamide
CID 102833850
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715745
N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
CID 43686533
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methoxybenzenesulfonamide
CID 43743967
3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide
CID 114812448
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-methoxybenzenesulfonamide
CID 107441785
4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide
CID 114816629
2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43761092
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 64501520
4-[(3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 129203726

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide (CID 43743930) is 3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1NCc1ccc(Br)o1.
What is the InChIKey of 3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide?
The InChIKey is PXIFLEODCOHWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O4S/c1-18-11-4-3-9(20(14,16)17)6-10(11)15-7-8-2-5-12(13)19-8/h2-6,15H,7H2,1H3,(H2,14,16,17).
What are the key properties of 3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide?
3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide has a molecular weight of 361.22 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43743930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).