N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide

C16H17FN2O2S — CID 168514445

IUPACN-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H17FN2O2S/c17-15-5-1-2-6-16(15)18-22(20,21)14-9-7-13(8-10-14)19-11-3-4-12-19/h1-2,5-10,18H,3-4,11-12H2
InChIKeyYBUDZHLONGPIEQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.23
Rot. Bonds4

About N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide

N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 168514445) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID168514445
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H17FN2O2S/c17-15-5-1-2-6-16(15)18-22(20,21)14-9-7-13(8-10-14)19-11-3-4-12-19/h1-2,5-10,18H,3-4,11-12H2
InChIKeyYBUDZHLONGPIEQ-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756
4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 4785273
4-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55720788
(3S)-1-[4-[(2-fluorophenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 39323749
4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361895
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4787079
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
3-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55721061
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide (CID 168514445) is N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide is O=S(=O)(Nc1ccccc1F)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is YBUDZHLONGPIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-15-5-1-2-6-16(15)18-22(20,21)14-9-7-13(8-10-14)19-11-3-4-12-19/h1-2,5-10,18H,3-4,11-12H2.
What are the key properties of N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 320.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 168514445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).