N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide

C11H13F3N2O2S — CID 79684944

IUPACN-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)8-1-3-10(4-2-8)19(17,18)16-9-5-6-15-7-9/h1-4,9,15-16H,5-7H2/t9-/m0/s1
InChIKeyBHVAVTAXFSOPPI-VIFPVBQESA-N
MW294.30 g/mol
LogP1.35
Rot. Bonds3

About N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 79684944) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID79684944
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC NameN-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)8-1-3-10(4-2-8)19(17,18)16-9-5-6-15-7-9/h1-4,9,15-16H,5-7H2/t9-/m0/s1
InChIKeyBHVAVTAXFSOPPI-VIFPVBQESA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588
4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967100
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636
4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966752
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 79684944) is N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(N[C@H]1CCNC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BHVAVTAXFSOPPI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)8-1-3-10(4-2-8)19(17,18)16-9-5-6-15-7-9/h1-4,9,15-16H,5-7H2/t9-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 294.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 79684944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).