2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide

C16H19FN2O2S2 — CID 78786892

IUPAC2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)N1CCCC1)c1ccccc1F
InChIInChI=1S/C16H19FN2O2S2/c17-13-6-1-2-8-16(13)23(20,21)18-12-14(15-7-5-11-22-15)19-9-3-4-10-19/h1-2,5-8,11,14,18H,3-4,9-10,12H2
InChIKeyRKCKYGKWOVTBTG-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.00
Rot. Bonds6

About 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide

2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 78786892) has the molecular formula C16H19FN2O2S2 and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID78786892
Molecular FormulaC16H19FN2O2S2
Molecular Weight354.47 g/mol
Exact Mass354.09
IUPAC Name2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)N1CCCC1)c1ccccc1F
InChIInChI=1S/C16H19FN2O2S2/c17-13-6-1-2-8-16(13)23(20,21)18-12-14(15-7-5-11-22-15)19-9-3-4-10-19/h1-2,5-8,11,14,18H,3-4,9-10,12H2
InChIKeyRKCKYGKWOVTBTG-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835869
2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169275
4-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzene-1,4-disulfonamide
CID 55434495
4-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 78786890
1-methyl-4-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 129415210
N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine
CID 110622492
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189
4-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55353830
2-methyl-5-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid
CID 129414253
3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 24640460
2-fluoro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30578677
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 112506471

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide (CID 78786892) is 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(NCC(c1cccs1)N1CCCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is RKCKYGKWOVTBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S2/c17-13-6-1-2-8-16(13)23(20,21)18-12-14(15-7-5-11-22-15)19-9-3-4-10-19/h1-2,5-8,11,14,18H,3-4,9-10,12H2.
What are the key properties of 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 78786892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).