4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide

C15H24N2O2S — CID 119967100

IUPAC4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC2CCNC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-15(2,3)12-5-7-14(8-6-12)20(18,19)17-13-9-10-16-11-13/h5-8,13,16-17H,4,9-11H2,1-3H3
InChIKeyNDIADOLHCOUBBJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.01
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide

4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 119967100) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID119967100
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC2CCNC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-15(2,3)12-5-7-14(8-6-12)20(18,19)17-13-9-10-16-11-13/h5-8,13,16-17H,4,9-11H2,1-3H3
InChIKeyNDIADOLHCOUBBJ-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977232
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966752
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707602
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide (CID 119967100) is 4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)NC2CCNC2)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is NDIADOLHCOUBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-15(2,3)12-5-7-14(8-6-12)20(18,19)17-13-9-10-16-11-13/h5-8,13,16-17H,4,9-11H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide?
4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 119967100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).