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

C16H23IN2O3S — CID 108563963

IUPACN-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C16H23IN2O3S/c1-2-3-12-23(21,22)18-13-8-10-19(11-9-13)16(20)14-6-4-5-7-15(14)17/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyMCJJMVZDNMQMCD-UHFFFAOYSA-N
MW450.34 g/mol
LogP2.62
Rot. Bonds6

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

N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide (PubChem CID 108563963) has the molecular formula C16H23IN2O3S and a molecular weight of 450.34 g/mol. Its IUPAC name is N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
PubChem CID108563963
Molecular FormulaC16H23IN2O3S
Molecular Weight450.34 g/mol
Exact Mass450.05
IUPAC NameN-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C16H23IN2O3S/c1-2-3-12-23(21,22)18-13-8-10-19(11-9-13)16(20)14-6-4-5-7-15(14)17/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyMCJJMVZDNMQMCD-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
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
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]butane-1-sulfonamide
CID 108566307
2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide
CID 108548674
N-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655211
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide (CID 108563963) is N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2I)CC1.
What is the InChIKey of N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide?
The InChIKey is MCJJMVZDNMQMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2O3S/c1-2-3-12-23(21,22)18-13-8-10-19(11-9-13)16(20)14-6-4-5-7-15(14)17/h4-7,13,18H,2-3,8-12H2,1H3.
What are the key properties of N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide?
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide has a molecular weight of 450.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 108563963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).