4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide

C17H28N2O2S — CID 119977232

IUPAC4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C17H28N2O2S/c1-4-17(2,3)15-5-7-16(8-6-15)22(20,21)19-12-10-14-9-11-18-13-14/h5-8,14,18-19H,4,9-13H2,1-3H3
InChIKeyAFYRKQUPAYIYLF-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.65
Rot. Bonds7

About 4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide

4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide (PubChem CID 119977232) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
PubChem CID119977232
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C17H28N2O2S/c1-4-17(2,3)15-5-7-16(8-6-15)22(20,21)19-12-10-14-9-11-18-13-14/h5-8,14,18-19H,4,9-13H2,1-3H3
InChIKeyAFYRKQUPAYIYLF-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119977058
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967100
4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63622886
4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977075
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
3-bromo-4-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977238
4-bromo-3-methyl-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98571467
2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride
CID 119977325
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide (CID 119977232) is 4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)NCCC2CCNC2)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The InChIKey is AFYRKQUPAYIYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-4-17(2,3)15-5-7-16(8-6-15)22(20,21)19-12-10-14-9-11-18-13-14/h5-8,14,18-19H,4,9-13H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.65, 7 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-(2-pyrrolidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 119977232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).