2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide

C19H23FN2O3S — CID 51169275

IUPAC2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccccc2F)N2CCCC2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-25-16-10-8-15(9-11-16)18(22-12-4-5-13-22)14-21-26(23,24)19-7-3-2-6-17(19)20/h2-3,6-11,18,21H,4-5,12-14H2,1H3
InChIKeyRDNKJUUZFUBAEC-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.95
Rot. Bonds7

About 2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide

2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide (PubChem CID 51169275) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
PubChem CID51169275
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccccc2F)N2CCCC2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-25-16-10-8-15(9-11-16)18(22-12-4-5-13-22)14-21-26(23,24)19-7-3-2-6-17(19)20/h2-3,6-11,18,21H,4-5,12-14H2,1H3
InChIKeyRDNKJUUZFUBAEC-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55352459
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide
CID 26942652
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 46799908
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 55681910
2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 134017321
2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 78786892
4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16553768
3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 31481673
5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 41013159
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide (CID 51169275) is 2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide is COc1ccc(C(CNS(=O)(=O)c2ccccc2F)N2CCCC2)cc1.
What is the InChIKey of 2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The InChIKey is RDNKJUUZFUBAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-25-16-10-8-15(9-11-16)18(22-12-4-5-13-22)14-21-26(23,24)19-7-3-2-6-17(19)20/h2-3,6-11,18,21H,4-5,12-14H2,1H3.
What are the key properties of 2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 51169275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).