N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C15H21NO4S2 — CID 17410005

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO4S2/c1-16(14-8-9-21(17,18)11-14)22(19,20)15-7-6-12-4-2-3-5-13(12)10-15/h6-7,10,14H,2-5,8-9,11H2,1H3
InChIKeySZYAROURJQGCEQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.37
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 17410005) has the molecular formula C15H21NO4S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID17410005
Molecular FormulaC15H21NO4S2
Molecular Weight343.47 g/mol
Exact Mass343.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO4S2/c1-16(14-8-9-21(17,18)11-14)22(19,20)15-7-6-12-4-2-3-5-13(12)10-15/h6-7,10,14H,2-5,8-9,11H2,1H3
InChIKeySZYAROURJQGCEQ-UHFFFAOYSA-N
XLogP1.37
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 17410005) is N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is SZYAROURJQGCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S2/c1-16(14-8-9-21(17,18)11-14)22(19,20)15-7-6-12-4-2-3-5-13(12)10-15/h6-7,10,14H,2-5,8-9,11H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 343.47 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 17410005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).