4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C14H21FN2O3S — CID 106610003

IUPAC4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCOCCN(CC1CCCN1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3S/c1-20-10-9-17(11-13-3-2-8-16-13)21(18,19)14-6-4-12(15)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyHHIYPNHJZFYJRC-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.21
Rot. Bonds7

About 4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106610003) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106610003
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCOCCN(CC1CCCN1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3S/c1-20-10-9-17(11-13-3-2-8-16-13)21(18,19)14-6-4-12(15)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyHHIYPNHJZFYJRC-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609631
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106609971
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 106609985
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610228
3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106609930
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106610075
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
CID 106609757
N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606335

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106610003) is 4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is COCCN(CC1CCCN1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is HHIYPNHJZFYJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-20-10-9-17(11-13-3-2-8-16-13)21(18,19)14-6-4-12(15)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3.
What are the key properties of 4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106610003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).