N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide

C14H18I2N2O3S — CID 142274610

IUPACN-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1c(OC2CCNCC2)ccc(I)c1I
InChIInChI=1S/C14H18I2N2O3S/c15-11-3-4-12(21-10-5-7-17-8-6-10)14(13(11)16)22(19,20)18-9-1-2-9/h3-4,9-10,17-18H,1-2,5-8H2
InChIKeyHPHIUTORARKJTH-UHFFFAOYSA-N
MW548.18 g/mol
LogP2.47
Rot. Bonds5

About N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide

N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide (PubChem CID 142274610) has the molecular formula C14H18I2N2O3S and a molecular weight of 548.18 g/mol. Its IUPAC name is N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide
PubChem CID142274610
Molecular FormulaC14H18I2N2O3S
Molecular Weight548.18 g/mol
Exact Mass547.91
IUPAC NameN-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1c(OC2CCNCC2)ccc(I)c1I
InChIInChI=1S/C14H18I2N2O3S/c15-11-3-4-12(21-10-5-7-17-8-6-10)14(13(11)16)22(19,20)18-9-1-2-9/h3-4,9-10,17-18H,1-2,5-8H2
InChIKeyHPHIUTORARKJTH-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.18
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 165111784
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874438
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 119960637
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
N-ethyl-2-piperidin-4-yloxybenzenesulfonamide
CID 62344419
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 167945506
4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 134259172
N-(4-piperidin-4-yloxyphenyl)methanesulfonamide
CID 19420800

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide (CID 142274610) is N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide is O=S(=O)(NC1CC1)c1c(OC2CCNCC2)ccc(I)c1I.
What is the InChIKey of N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide?
The InChIKey is HPHIUTORARKJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18I2N2O3S/c15-11-3-4-12(21-10-5-7-17-8-6-10)14(13(11)16)22(19,20)18-9-1-2-9/h3-4,9-10,17-18H,1-2,5-8H2.
What are the key properties of N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide?
N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide has a molecular weight of 548.18 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide is sourced from PubChem (CID 142274610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).