4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide

C13H14ClNO3S — CID 115588808

IUPAC4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccoc1)c1ccc(CCCl)cc1
InChIInChI=1S/C13H14ClNO3S/c14-7-5-11-1-3-13(4-2-11)19(16,17)15-9-12-6-8-18-10-12/h1-4,6,8,10,15H,5,7,9H2
InChIKeyOKDBRGCEWFXFOK-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.54
Rot. Bonds6

About 4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide

4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide (PubChem CID 115588808) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
PubChem CID115588808
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC Name4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccoc1)c1ccc(CCCl)cc1
InChIInChI=1S/C13H14ClNO3S/c14-7-5-11-1-3-13(4-2-11)19(16,17)15-9-12-6-8-18-10-12/h1-4,6,8,10,15H,5,7,9H2
InChIKeyOKDBRGCEWFXFOK-UHFFFAOYSA-N
XLogP2.54
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide
CID 107652513
4-(2-chloroethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61348717
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352
4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43662811
6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
CID 114613762
N-(furan-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 47204540
3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide
CID 47204563
4-(2-chloroethyl)-N-pyrrol-1-ylbenzenesulfonamide
CID 79107006
3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
CID 107091695
4-(2-chloroethyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61286100
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide
CID 43662654
N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide
CID 162435301

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide (CID 115588808) is 4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccoc1)c1ccc(CCCl)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide?
The InChIKey is OKDBRGCEWFXFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S/c14-7-5-11-1-3-13(4-2-11)19(16,17)15-9-12-6-8-18-10-12/h1-4,6,8,10,15H,5,7,9H2.
What are the key properties of 4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide?
4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 115588808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).