4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide

C14H23ClN2O3S — CID 116815945

IUPAC4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C14H23ClN2O3S/c15-7-1-4-11-21(18,19)16-12-13(14-6-5-10-20-14)17-8-2-3-9-17/h5-6,10,13,16H,1-4,7-9,11-12H2
InChIKeyKIXGKPXGXQXOJA-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.35
Rot. Bonds9

About 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide

4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide (PubChem CID 116815945) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
PubChem CID116815945
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C14H23ClN2O3S/c15-7-1-4-11-21(18,19)16-12-13(14-6-5-10-20-14)17-8-2-3-9-17/h5-6,10,13,16H,1-4,7-9,11-12H2
InChIKeyKIXGKPXGXQXOJA-UHFFFAOYSA-N
XLogP2.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 55245447
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
CID 112503410
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide
CID 97078733
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide
CID 107651678
N-[[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]sulfamoyl]propan-1-amine
CID 110621685
1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine
CID 134035677
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
4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 124705074

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide (CID 116815945) is 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide is O=S(=O)(CCCCCl)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide?
The InChIKey is KIXGKPXGXQXOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c15-7-1-4-11-21(18,19)16-12-13(14-6-5-10-20-14)17-8-2-3-9-17/h5-6,10,13,16H,1-4,7-9,11-12H2.
What are the key properties of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide?
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide has a molecular weight of 334.87 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide is sourced from PubChem (CID 116815945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).