5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide

C14H17BrN2O3S — CID 106055076

IUPAC5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CN)oc1Br)c1ccccc1
InChIInChI=1S/C14H17BrN2O3S/c1-2-12(10-6-4-3-5-7-10)17-21(18,19)13-8-11(9-16)20-14(13)15/h3-8,12,17H,2,9,16H2,1H3
InChIKeyJQWGMDRKYWEKGO-UHFFFAOYSA-N
MW373.27 g/mol
LogP2.93
Rot. Bonds6

About 5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide (PubChem CID 106055076) has the molecular formula C14H17BrN2O3S and a molecular weight of 373.27 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide
PubChem CID106055076
Molecular FormulaC14H17BrN2O3S
Molecular Weight373.27 g/mol
Exact Mass372.01
IUPAC Name5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CN)oc1Br)c1ccccc1
InChIInChI=1S/C14H17BrN2O3S/c1-2-12(10-6-4-3-5-7-10)17-21(18,19)13-8-11(9-16)20-14(13)15/h3-8,12,17H,2,9,16H2,1H3
InChIKeyJQWGMDRKYWEKGO-UHFFFAOYSA-N
XLogP2.93
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
CID 106068270
5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide
CID 63421088
5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide
CID 106052222
5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
CID 106048841
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
CID 106091146
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
CID 106005665
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
3-bromo-N-(1-phenylpropyl)thiophene-2-sulfonamide
CID 62047666

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide (CID 106055076) is 5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide is CCC(NS(=O)(=O)c1cc(CN)oc1Br)c1ccccc1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide?
The InChIKey is JQWGMDRKYWEKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3S/c1-2-12(10-6-4-3-5-7-10)17-21(18,19)13-8-11(9-16)20-14(13)15/h3-8,12,17H,2,9,16H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide has a molecular weight of 373.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide is sourced from PubChem (CID 106055076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).