N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide

C15H17NO3S — CID 2850704

IUPACN-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO3S/c17-20(18,16-11-14-6-3-9-19-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14,16H,3,6,9,11H2
InChIKeyMDIBTKNVTKMQTD-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.30
Rot. Bonds4

About N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide

N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide (PubChem CID 2850704) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide
PubChem CID2850704
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO3S/c17-20(18,16-11-14-6-3-9-19-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14,16H,3,6,9,11H2
InChIKeyMDIBTKNVTKMQTD-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide (CID 2850704) is N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide is O=S(=O)(NCC1CCCO1)c1ccc2ccccc2c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide?
The InChIKey is MDIBTKNVTKMQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-20(18,16-11-14-6-3-9-19-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14,16H,3,6,9,11H2.
What are the key properties of N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide?
N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 2850704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).