N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide

C17H26N2O4S — CID 108563568

IUPACN-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C17H26N2O4S/c1-3-4-13-24(21,22)18-14-9-11-19(12-10-14)17(20)15-7-5-6-8-16(15)23-2/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyUXEMLLGAUCHKJT-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.02
Rot. Bonds7

About N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide

N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide (PubChem CID 108563568) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
PubChem CID108563568
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C17H26N2O4S/c1-3-4-13-24(21,22)18-14-9-11-19(12-10-14)17(20)15-7-5-6-8-16(15)23-2/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyUXEMLLGAUCHKJT-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963
N-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655211
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91715326
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736037
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide (CID 108563568) is N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2OC)CC1.
What is the InChIKey of N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide?
The InChIKey is UXEMLLGAUCHKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-4-13-24(21,22)18-14-9-11-19(12-10-14)17(20)15-7-5-6-8-16(15)23-2/h5-8,14,18H,3-4,9-13H2,1-2H3.
What are the key properties of N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide?
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide has a molecular weight of 354.47 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 108563568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).