3-naphthalen-2-ylsulfonylpropane-1-sulfonamide

C13H15NO4S2 — CID 56801860

IUPAC3-naphthalen-2-ylsulfonylpropane-1-sulfonamide
SMILESNS(=O)(=O)CCCS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H15NO4S2/c14-20(17,18)9-3-8-19(15,16)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9H2,(H2,14,17,18)
InChIKeyLRVWUZMHOXGXIM-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.29
Rot. Bonds5

About 3-naphthalen-2-ylsulfonylpropane-1-sulfonamide

3-naphthalen-2-ylsulfonylpropane-1-sulfonamide (PubChem CID 56801860) has the molecular formula C13H15NO4S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfonylpropane-1-sulfonamide
PubChem CID56801860
Molecular FormulaC13H15NO4S2
Molecular Weight313.40 g/mol
Exact Mass313.04
IUPAC Name3-naphthalen-2-ylsulfonylpropane-1-sulfonamide
SMILESNS(=O)(=O)CCCS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H15NO4S2/c14-20(17,18)9-3-8-19(15,16)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9H2,(H2,14,17,18)
InChIKeyLRVWUZMHOXGXIM-UHFFFAOYSA-N
XLogP1.29
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
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naphthalene-2-sulfonic acid
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2-(2,2-dimethoxyethylsulfonyl)naphthalene
CID 66223688
2-[(2-fluorophenyl)methylsulfonyl]naphthalene
CID 56732613
hydrazinyl naphthalene-2-sulfonate
CID 87641318
N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide
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CID 7342256

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfonylpropane-1-sulfonamide?
The IUPAC name of 3-naphthalen-2-ylsulfonylpropane-1-sulfonamide (CID 56801860) is 3-naphthalen-2-ylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for 3-naphthalen-2-ylsulfonylpropane-1-sulfonamide?
The canonical SMILES for 3-naphthalen-2-ylsulfonylpropane-1-sulfonamide is NS(=O)(=O)CCCS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-ylsulfonylpropane-1-sulfonamide?
The InChIKey is LRVWUZMHOXGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S2/c14-20(17,18)9-3-8-19(15,16)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9H2,(H2,14,17,18).
What are the key properties of 3-naphthalen-2-ylsulfonylpropane-1-sulfonamide?
3-naphthalen-2-ylsulfonylpropane-1-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 56801860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).