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

C14H19FN2O2S — CID 106599551

IUPACN-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C14H19FN2O2S/c15-11-3-1-5-14(9-11)20(18,19)17(13-6-7-13)10-12-4-2-8-16-12/h1,3,5,9,12-13,16H,2,4,6-8,10H2
InChIKeyFHJSKHAAIWUFIY-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.73
Rot. Bonds5

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

N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106599551) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106599551
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C14H19FN2O2S/c15-11-3-1-5-14(9-11)20(18,19)17(13-6-7-13)10-12-4-2-8-16-12/h1,3,5,9,12-13,16H,2,4,6-8,10H2
InChIKeyFHJSKHAAIWUFIY-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
3-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630056
3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630030
N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608687
N-cyclopropyl-2,6-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599513
4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 107650210
N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599610
N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106599551) is N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1cccc(F)c1)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is FHJSKHAAIWUFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c15-11-3-1-5-14(9-11)20(18,19)17(13-6-7-13)10-12-4-2-8-16-12/h1,3,5,9,12-13,16H,2,4,6-8,10H2.
What are the key properties of N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 298.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106599551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).