N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide

C11H17BrN2O3S — CID 113465229

IUPACN-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1ccc(CNCCC)o1
InChIInChI=1S/C11H17BrN2O3S/c1-3-6-13-8-10-4-5-11(17-10)18(15,16)14-7-9(2)12/h4-5,13-14H,2-3,6-8H2,1H3
InChIKeyMUWSLEQMLAHEEO-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.97
Rot. Bonds8

About N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide

N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide (PubChem CID 113465229) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide
PubChem CID113465229
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC NameN-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1ccc(CNCCC)o1
InChIInChI=1S/C11H17BrN2O3S/c1-3-6-13-8-10-4-5-11(17-10)18(15,16)14-7-9(2)12/h4-5,13-14H,2-3,6-8H2,1H3
InChIKeyMUWSLEQMLAHEEO-UHFFFAOYSA-N
XLogP1.97
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 106410031
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide
CID 106088778
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106425254
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
CID 106220264
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]furan-2-sulfonamide
CID 106410018
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 115988547
N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106426080

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide (CID 113465229) is N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide is C=C(Br)CNS(=O)(=O)c1ccc(CNCCC)o1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide?
The InChIKey is MUWSLEQMLAHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-3-6-13-8-10-4-5-11(17-10)18(15,16)14-7-9(2)12/h4-5,13-14H,2-3,6-8H2,1H3.
What are the key properties of N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide?
N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 113465229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).