3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide

C14H19FN2O3S — CID 115883710

IUPAC3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCCC1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)C1
InChIInChI=1S/C14H19FN2O3S/c1-2-3-10-6-7-17(9-10)14(18)12-5-4-11(8-13(12)15)21(16,19)20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,16,19,20)
InChIKeyWSXXGMBDNIXESM-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.74
Rot. Bonds4

About 3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide

3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 115883710) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID115883710
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCCC1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)C1
InChIInChI=1S/C14H19FN2O3S/c1-2-3-10-6-7-17(9-10)14(18)12-5-4-11(8-13(12)15)21(16,19)20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,16,19,20)
InChIKeyWSXXGMBDNIXESM-UHFFFAOYSA-N
XLogP1.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-bromoethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 114801515
(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113418780
4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 112698154
(3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 115667736
4-bromo-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 62732706
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62199600
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
[(3S)-1-(2-chloro-4,5-difluorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 125173276
5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 65386533

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 115883710) is 3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide is CCCC1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)C1.
What is the InChIKey of 3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is WSXXGMBDNIXESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-2-3-10-6-7-17(9-10)14(18)12-5-4-11(8-13(12)15)21(16,19)20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,16,19,20).
What are the key properties of 3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide?
3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 115883710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).