2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide

C19H22F2N2O3S — CID 134017321

IUPAC2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2c(F)cccc2F)N2CCCC2)c1
InChIInChI=1S/C19H22F2N2O3S/c1-26-15-7-4-6-14(12-15)18(23-10-2-3-11-23)13-22-27(24,25)19-16(20)8-5-9-17(19)21/h4-9,12,18,22H,2-3,10-11,13H2,1H3
InChIKeyBWOYBZSBXRZMEK-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.09
Rot. Bonds7

About 2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide

2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide (PubChem CID 134017321) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
PubChem CID134017321
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2c(F)cccc2F)N2CCCC2)c1
InChIInChI=1S/C19H22F2N2O3S/c1-26-15-7-4-6-14(12-15)18(23-10-2-3-11-23)13-22-27(24,25)19-16(20)8-5-9-17(19)21/h4-9,12,18,22H,2-3,10-11,13H2,1H3
InChIKeyBWOYBZSBXRZMEK-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 92614256
3-bromo-4-methoxy-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55353294
2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169275
3,4-diethoxy-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55386939
4-chloro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-nitrobenzenesulfonamide
CID 55565133
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 55681910
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 31481673
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55508575

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide (CID 134017321) is 2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide is COc1cccc(C(CNS(=O)(=O)c2c(F)cccc2F)N2CCCC2)c1.
What is the InChIKey of 2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The InChIKey is BWOYBZSBXRZMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-26-15-7-4-6-14(12-15)18(23-10-2-3-11-23)13-22-27(24,25)19-16(20)8-5-9-17(19)21/h4-9,12,18,22H,2-3,10-11,13H2,1H3.
What are the key properties of 2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide has a molecular weight of 396.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 134017321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).