N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide

C14H15NO4S2 — CID 2884532

IUPACN-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C14H15NO4S2/c16-20(17)8-7-13(10-20)15-21(18,19)14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13,15H,7-8,10H2
InChIKeyPMFCQVHBTNTYIX-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.31
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide

N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide (PubChem CID 2884532) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide
PubChem CID2884532
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C14H15NO4S2/c16-20(17)8-7-13(10-20)15-21(18,19)14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13,15H,7-8,10H2
InChIKeyPMFCQVHBTNTYIX-UHFFFAOYSA-N
XLogP1.31
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide (CID 2884532) is N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide is O=S1(=O)CCC(NS(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide?
The InChIKey is PMFCQVHBTNTYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c16-20(17)8-7-13(10-20)15-21(18,19)14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13,15H,7-8,10H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide?
N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide has a molecular weight of 325.41 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 2884532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).