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

C10H14N2O2S — CID 79685431

IUPACN-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)c1ccccc1
InChIInChI=1S/C10H14N2O2S/c13-15(14,10-4-2-1-3-5-10)12-9-6-7-11-8-9/h1-5,9,11-12H,6-8H2/t9-/m0/s1
InChIKeyWGXBFGANZINQDG-VIFPVBQESA-N
MW226.30 g/mol
LogP0.33
Rot. Bonds3

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

N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 79685431) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
PubChem CID79685431
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)c1ccccc1
InChIInChI=1S/C10H14N2O2S/c13-15(14,10-4-2-1-3-5-10)12-9-6-7-11-8-9/h1-5,9,11-12H,6-8H2/t9-/m0/s1
InChIKeyWGXBFGANZINQDG-VIFPVBQESA-N
XLogP0.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 10660094
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636
4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966752
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide (CID 79685431) is N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@H]1CCNC1)c1ccccc1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is WGXBFGANZINQDG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-15(14,10-4-2-1-3-5-10)12-9-6-7-11-8-9/h1-5,9,11-12H,6-8H2/t9-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.33, 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]benzenesulfonamide is sourced from PubChem (CID 79685431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).