4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide

C16H26N2O3S — CID 119960714

IUPAC4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
SMILESCC(C)CCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-13(2)9-12-21-15-3-5-16(6-4-15)22(19,20)18-14-7-10-17-11-8-14/h3-6,13-14,17-18H,7-12H2,1-2H3
InChIKeyFRXJZUVNVDIZOE-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.14
Rot. Bonds7

About 4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide

4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 119960714) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
PubChem CID119960714
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
SMILESCC(C)CCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-13(2)9-12-21-15-3-5-16(6-4-15)22(19,20)18-14-7-10-17-11-8-14/h3-6,13-14,17-18H,7-12H2,1-2H3
InChIKeyFRXJZUVNVDIZOE-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960520
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 120586143
N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4948886
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
9-[4-(3-methylbutoxy)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719126
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964352
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride
CID 154911253

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide (CID 119960714) is 4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide is CC(C)CCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is FRXJZUVNVDIZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(2)9-12-21-15-3-5-16(6-4-15)22(19,20)18-14-7-10-17-11-8-14/h3-6,13-14,17-18H,7-12H2,1-2H3.
What are the key properties of 4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide?
4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 119960714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).