4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide

C15H18ClNO3S — CID 60959654

IUPAC4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C15H18ClNO3S/c1-12(11-14-3-2-10-20-14)17-21(18,19)15-6-4-13(5-7-15)8-9-16/h2-7,10,12,17H,8-9,11H2,1H3
InChIKeyUQWSGSRDJLTGRI-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.97
Rot. Bonds7

About 4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide

4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide (PubChem CID 60959654) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
PubChem CID60959654
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C15H18ClNO3S/c1-12(11-14-3-2-10-20-14)17-21(18,19)15-6-4-13(5-7-15)8-9-16/h2-7,10,12,17H,8-9,11H2,1H3
InChIKeyUQWSGSRDJLTGRI-UHFFFAOYSA-N
XLogP2.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.97
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

N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 107858812
4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
CID 51078414
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 65482008
2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
CID 61051425
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 61126634
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide
CID 34161180
N-[(2R)-1-(furan-2-yl)propan-2-yl]-5-methylthiophene-2-sulfonamide
CID 34161122
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 116528376

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide (CID 60959654) is 4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide is CC(Cc1ccco1)NS(=O)(=O)c1ccc(CCCl)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is UQWSGSRDJLTGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-12(11-14-3-2-10-20-14)17-21(18,19)15-6-4-13(5-7-15)8-9-16/h2-7,10,12,17H,8-9,11H2,1H3.
What are the key properties of 4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 327.83 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 60959654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).