N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide

C14H11NO3S2 — CID 697391

IUPACN-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)c2ccccc12)c1cccs1
InChIInChI=1S/C14H11NO3S2/c16-13-8-7-12(10-4-1-2-5-11(10)13)15-20(17,18)14-6-3-9-19-14/h1-9,15-16H
InChIKeyPGMYLDPZRWWFCZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.41
Rot. Bonds3

About N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide

N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide (PubChem CID 697391) has the molecular formula C14H11NO3S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
PubChem CID697391
Molecular FormulaC14H11NO3S2
Molecular Weight305.38 g/mol
Exact Mass305.02
IUPAC NameN-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)c2ccccc12)c1cccs1
InChIInChI=1S/C14H11NO3S2/c16-13-8-7-12(10-4-1-2-5-11(10)13)15-20(17,18)14-6-3-9-19-14/h1-9,15-16H
InChIKeyPGMYLDPZRWWFCZ-UHFFFAOYSA-N
XLogP3.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.41
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide (CID 697391) is N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(O)c2ccccc12)c1cccs1.
What is the InChIKey of N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide?
The InChIKey is PGMYLDPZRWWFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S2/c16-13-8-7-12(10-4-1-2-5-11(10)13)15-20(17,18)14-6-3-9-19-14/h1-9,15-16H.
What are the key properties of N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide?
N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide has a molecular weight of 305.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 697391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).