3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide

C13H15BrN2O3S — CID 104652671

IUPAC3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(C)c1ccc(Br)o1
InChIInChI=1S/C13H15BrN2O3S/c1-8-3-4-10(20(15,17)18)7-11(8)16-9(2)12-5-6-13(14)19-12/h3-7,9,16H,1-2H3,(H2,15,17,18)
InChIKeyPTAZAHXBUYQUIN-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.17
Rot. Bonds4

About 3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide

3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide (PubChem CID 104652671) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is 3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide
PubChem CID104652671
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Name3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(C)c1ccc(Br)o1
InChIInChI=1S/C13H15BrN2O3S/c1-8-3-4-10(20(15,17)18)7-11(8)16-9(2)12-5-6-13(14)19-12/h3-7,9,16H,1-2H3,(H2,15,17,18)
InChIKeyPTAZAHXBUYQUIN-UHFFFAOYSA-N
XLogP3.17
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide
CID 43744252
3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzoic acid
CID 104652572
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
3-(heptan-2-ylamino)-4-methylbenzenesulfonamide
CID 43744136
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
CID 104652219
N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline
CID 104652643
3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
CID 63085133
N-[1-(5-bromofuran-2-yl)ethyl]-4-methyl-2-nitroaniline
CID 104652507
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-4-methylaniline
CID 104651996
3-bromo-4-(propan-2-ylamino)benzenesulfonamide
CID 43745736
4-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-2,3-dichloroaniline
CID 114001608

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide (CID 104652671) is 3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NC(C)c1ccc(Br)o1.
What is the InChIKey of 3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide?
The InChIKey is PTAZAHXBUYQUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-8-3-4-10(20(15,17)18)7-11(8)16-9(2)12-5-6-13(14)19-12/h3-7,9,16H,1-2H3,(H2,15,17,18).
What are the key properties of 3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide?
3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide has a molecular weight of 359.25 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 104652671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).