1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide

C11H17ClN2O3S — CID 55245447

IUPAC1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
SMILESO=S(=O)(CCl)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C11H17ClN2O3S/c12-9-18(15,16)13-8-10(11-4-3-7-17-11)14-5-1-2-6-14/h3-4,7,10,13H,1-2,5-6,8-9H2
InChIKeyLPLAWIBEFKEGKE-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.53
Rot. Bonds6

About 1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide

1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide (PubChem CID 55245447) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
PubChem CID55245447
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
SMILESO=S(=O)(CCl)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C11H17ClN2O3S/c12-9-18(15,16)13-8-10(11-4-3-7-17-11)14-5-1-2-6-14/h3-4,7,10,13H,1-2,5-6,8-9H2
InChIKeyLPLAWIBEFKEGKE-UHFFFAOYSA-N
XLogP1.53
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
CID 116815945
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide
CID 97078733
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
CID 112503410
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
N-[[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]sulfamoyl]propan-1-amine
CID 110621685
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51330775
2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47022446
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 7243445
1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine
CID 134035677
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide (CID 55245447) is 1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide is O=S(=O)(CCl)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide?
The InChIKey is LPLAWIBEFKEGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c12-9-18(15,16)13-8-10(11-4-3-7-17-11)14-5-1-2-6-14/h3-4,7,10,13H,1-2,5-6,8-9H2.
What are the key properties of 1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide?
1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide is sourced from PubChem (CID 55245447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).