4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide

C15H24N2O2S — CID 43603241

IUPAC4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC2CCNCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-12(2)13-4-6-15(7-5-13)20(18,19)17-14-8-10-16-11-9-14/h4-7,12,14,16-17H,3,8-11H2,1-2H3
InChIKeyAVCAZALMMMHBGS-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.23
Rot. Bonds5

About 4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide

4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 43603241) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
PubChem CID43603241
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC2CCNCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-12(2)13-4-6-15(7-5-13)20(18,19)17-14-8-10-16-11-9-14/h4-7,12,14,16-17H,3,8-11H2,1-2H3
InChIKeyAVCAZALMMMHBGS-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
CID 119960714
4-(3-bromopentan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 63561221
4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726766
4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993611
4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874458
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide
CID 63252038
4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960520

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide (CID 43603241) is 4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NC2CCNCC2)cc1.
What is the InChIKey of 4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is AVCAZALMMMHBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-12(2)13-4-6-15(7-5-13)20(18,19)17-14-8-10-16-11-9-14/h4-7,12,14,16-17H,3,8-11H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide?
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.23, 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-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 43603241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).