3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide

C14H18FN3O3S — CID 133124417

IUPAC3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide
SMILESN[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C[C@H]1C1CC1
InChIInChI=1S/C14H18FN3O3S/c15-12-4-3-9(22(17,20)21)5-10(12)14(19)18-6-11(8-1-2-8)13(16)7-18/h3-5,8,11,13H,1-2,6-7,16H2,(H2,17,20,21)/t11-,13+/m0/s1
InChIKeyLWKREVFJPRWXMI-WCQYABFASA-N
MW327.38 g/mol
LogP0.28
Rot. Bonds3

About 3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide

3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide (PubChem CID 133124417) has the molecular formula C14H18FN3O3S and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide
PubChem CID133124417
Molecular FormulaC14H18FN3O3S
Molecular Weight327.38 g/mol
Exact Mass327.11
IUPAC Name3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide
SMILESN[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C[C@H]1C1CC1
InChIInChI=1S/C14H18FN3O3S/c15-12-4-3-9(22(17,20)21)5-10(12)14(19)18-6-11(8-1-2-8)13(16)7-18/h3-5,8,11,13H,1-2,6-7,16H2,(H2,17,20,21)/t11-,13+/m0/s1
InChIKeyLWKREVFJPRWXMI-WCQYABFASA-N
XLogP0.28
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 156604160
3-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide
CID 72881426
3-[(4R)-4-aminoazepane-1-carbonyl]-4-fluorobenzenesulfonamide
CID 95716407
4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 65388554
3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 79036562
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
4-fluoro-3-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)benzenesulfonamide
CID 138806856
4-fluoro-3-[2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 72838567
3-[(4aS,8aR)-4a-(hydroxymethyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]-4-fluorobenzenesulfonamide
CID 56897367
2-cyclopropylethyl 2-fluoro-5-sulfamoylbenzoate
CID 113246509
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 133118283

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide (CID 133124417) is 3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide is N[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C[C@H]1C1CC1.
What is the InChIKey of 3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide?
The InChIKey is LWKREVFJPRWXMI-WCQYABFASA-N. The full InChI is InChI=1S/C14H18FN3O3S/c15-12-4-3-9(22(17,20)21)5-10(12)14(19)18-6-11(8-1-2-8)13(16)7-18/h3-5,8,11,13H,1-2,6-7,16H2,(H2,17,20,21)/t11-,13+/m0/s1.
What are the key properties of 3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide?
3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide has a molecular weight of 327.38 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 133124417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).