N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C13H19FN2O2S — CID 106607953

IUPACN-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-2-16(10-12-6-4-8-15-12)19(17,18)13-7-3-5-11(14)9-13/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3
InChIKeyPFQXFDKSJRXHNW-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.59
Rot. Bonds5

About N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106607953) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106607953
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-2-16(10-12-6-4-8-15-12)19(17,18)13-7-3-5-11(14)9-13/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3
InChIKeyPFQXFDKSJRXHNW-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608687
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
3-cyano-N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607931
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106920662
3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
CID 106630601
4-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609631
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106607953) is N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCN1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is PFQXFDKSJRXHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-16(10-12-6-4-8-15-12)19(17,18)13-7-3-5-11(14)9-13/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3.
What are the key properties of N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106607953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).