2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide

C16H18ClFN2O3S — CID 47022446

IUPAC2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)N1CCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H18ClFN2O3S/c17-13-10-12(18)5-6-16(13)24(21,22)19-11-14(15-4-3-9-23-15)20-7-1-2-8-20/h3-6,9-10,14,19H,1-2,7-8,11H2
InChIKeySZDMHLDCLIQJBI-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.19
Rot. Bonds6

About 2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide

2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide (PubChem CID 47022446) has the molecular formula C16H18ClFN2O3S and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
PubChem CID47022446
Molecular FormulaC16H18ClFN2O3S
Molecular Weight372.85 g/mol
Exact Mass372.07
IUPAC Name2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)N1CCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H18ClFN2O3S/c17-13-10-12(18)5-6-16(13)24(21,22)19-11-14(15-4-3-9-23-15)20-7-1-2-8-20/h3-6,9-10,14,19H,1-2,7-8,11H2
InChIKeySZDMHLDCLIQJBI-UHFFFAOYSA-N
XLogP3.19
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 94783675
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 86767927
1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 55245447
2-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzenesulfonamide
CID 47070129
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 27443402
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51169408
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
CID 116815945
4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 124705074
4-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 7243475

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide (CID 47022446) is 2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccco1)N1CCCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The InChIKey is SZDMHLDCLIQJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O3S/c17-13-10-12(18)5-6-16(13)24(21,22)19-11-14(15-4-3-9-23-15)20-7-1-2-8-20/h3-6,9-10,14,19H,1-2,7-8,11H2.
What are the key properties of 2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide has a molecular weight of 372.85 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 47022446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).