3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide

C10H16ClNO3S — CID 60958479

IUPAC3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H16ClNO3S/c1-2-12(9-10-5-3-7-15-10)16(13,14)8-4-6-11/h3,5,7H,2,4,6,8-9H2,1H3
InChIKeyWXGQPJPWNWAEMM-UHFFFAOYSA-N
MW265.76 g/mol
LogP2.06
Rot. Bonds7

About 3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide

3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide (PubChem CID 60958479) has the molecular formula C10H16ClNO3S and a molecular weight of 265.76 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide
PubChem CID60958479
Molecular FormulaC10H16ClNO3S
Molecular Weight265.76 g/mol
Exact Mass265.05
IUPAC Name3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H16ClNO3S/c1-2-12(9-10-5-3-7-15-10)16(13,14)8-4-6-11/h3,5,7H,2,4,6,8-9H2,1H3
InChIKeyWXGQPJPWNWAEMM-UHFFFAOYSA-N
XLogP2.06
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 52.06
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

N-ethyl-2-(ethylamino)-N-(furan-2-ylmethyl)ethanesulfonamide
CID 54972545
3-[butylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82326435
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 64585550
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutane-1-sulfonamide
CID 116815301
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606165
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
CID 61105127
4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid
CID 43526884
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide (CID 60958479) is 3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide is CCN(Cc1ccco1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is WXGQPJPWNWAEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3S/c1-2-12(9-10-5-3-7-15-10)16(13,14)8-4-6-11/h3,5,7H,2,4,6,8-9H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide?
3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide has a molecular weight of 265.76 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 60958479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).