4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide

C14H22N2O2S — CID 55068886

IUPAC4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC2CCNC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-11(2)12-4-6-14(7-5-12)19(17,18)16-13-8-9-15-10-13/h4-7,11,13,15-16H,3,8-10H2,1-2H3
InChIKeyJDYUVONCGDBQCS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.84
Rot. Bonds5

About 4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide

4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 55068886) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID55068886
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC2CCNC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-11(2)12-4-6-14(7-5-12)19(17,18)16-13-8-9-15-10-13/h4-7,11,13,15-16H,3,8-10H2,1-2H3
InChIKeyJDYUVONCGDBQCS-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967100
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964495
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine
CID 115118986
N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
CID 79685894
4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 55068886) is 4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NC2CCNC2)cc1.
What is the InChIKey of 4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is JDYUVONCGDBQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-11(2)12-4-6-14(7-5-12)19(17,18)16-13-8-9-15-10-13/h4-7,11,13,15-16H,3,8-10H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide?
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 55068886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).