4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide

C14H16BrNO3S — CID 65480815

IUPAC4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H16BrNO3S/c1-2-16(11-13-4-3-9-19-13)20(17,18)14-7-5-12(10-15)6-8-14/h3-9H,2,10-11H2,1H3
InChIKeyFGFKNBCHHRIKEB-UHFFFAOYSA-N
MW358.26 g/mol
LogP3.39
Rot. Bonds6

About 4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide

4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 65480815) has the molecular formula C14H16BrNO3S and a molecular weight of 358.26 g/mol. Its IUPAC name is 4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID65480815
Molecular FormulaC14H16BrNO3S
Molecular Weight358.26 g/mol
Exact Mass357.00
IUPAC Name4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H16BrNO3S/c1-2-16(11-13-4-3-9-19-13)20(17,18)14-7-5-12(10-15)6-8-14/h3-9H,2,10-11H2,1H3
InChIKeyFGFKNBCHHRIKEB-UHFFFAOYSA-N
XLogP3.39
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421940
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 65482217
1-N-benzyl-1-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-disulfonamide
CID 25410526
4-(bromomethyl)-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 65482594
N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084753
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide (CID 65480815) is 4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide is CCN(Cc1ccco1)S(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is FGFKNBCHHRIKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S/c1-2-16(11-13-4-3-9-19-13)20(17,18)14-7-5-12(10-15)6-8-14/h3-9H,2,10-11H2,1H3.
What are the key properties of 4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 358.26 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 65480815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).