N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide

C14H10INO3S2 — CID 46909346

IUPACN-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(I)c(O)c2ccccc12)c1cccs1
InChIInChI=1S/C14H10INO3S2/c15-11-8-12(9-4-1-2-5-10(9)14(11)17)16-21(18,19)13-6-3-7-20-13/h1-8,16-17H
InChIKeyIMSUJBITJQGPHA-UHFFFAOYSA-N
MW431.28 g/mol
LogP4.01
Rot. Bonds3

About N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide

N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide (PubChem CID 46909346) has the molecular formula C14H10INO3S2 and a molecular weight of 431.28 g/mol. Its IUPAC name is N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide
PubChem CID46909346
Molecular FormulaC14H10INO3S2
Molecular Weight431.28 g/mol
Exact Mass430.91
IUPAC NameN-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(I)c(O)c2ccccc12)c1cccs1
InChIInChI=1S/C14H10INO3S2/c15-11-8-12(9-4-1-2-5-10(9)14(11)17)16-21(18,19)13-6-3-7-20-13/h1-8,16-17H
InChIKeyIMSUJBITJQGPHA-UHFFFAOYSA-N
XLogP4.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide (CID 46909346) is N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1cc(I)c(O)c2ccccc12)c1cccs1.
What is the InChIKey of N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide?
The InChIKey is IMSUJBITJQGPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO3S2/c15-11-8-12(9-4-1-2-5-10(9)14(11)17)16-21(18,19)13-6-3-7-20-13/h1-8,16-17H.
What are the key properties of N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide?
N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide has a molecular weight of 431.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-iodonaphthalen-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 46909346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).