3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

C10H13FN2O2S — CID 79685503

IUPAC3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)c1cccc(F)c1
InChIInChI=1S/C10H13FN2O2S/c11-8-2-1-3-10(6-8)16(14,15)13-9-4-5-12-7-9/h1-3,6,9,12-13H,4-5,7H2/t9-/m1/s1
InChIKeyZHXFPINZCZLAGF-SECBINFHSA-N
MW244.29 g/mol
LogP0.47
Rot. Bonds3

About 3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 79685503) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
PubChem CID79685503
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)c1cccc(F)c1
InChIInChI=1S/C10H13FN2O2S/c11-8-2-1-3-10(6-8)16(14,15)13-9-4-5-12-7-9/h1-3,6,9,12-13H,4-5,7H2/t9-/m1/s1
InChIKeyZHXFPINZCZLAGF-SECBINFHSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-fluorobenzenesulfonamide
CID 43602916
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 10660094
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120724371
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide (CID 79685503) is 3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCNC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is ZHXFPINZCZLAGF-SECBINFHSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-8-2-1-3-10(6-8)16(14,15)13-9-4-5-12-7-9/h1-3,6,9,12-13H,4-5,7H2/t9-/m1/s1.
What are the key properties of 3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 244.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 79685503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).