5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide

C14H18N2O3S — CID 169437063

IUPAC5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
SMILES[2H]C([2H])([2H])N(c1cccc2c(S(=O)(=O)NCCO)cccc12)C([2H])([2H])[2H]
InChIInChI=1S/C14H18N2O3S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)15-9-10-17/h3-8,15,17H,9-10H2,1-2H3/i1D3,2D3
InChIKeyOLNUFXNRCJFBMZ-WFGJKAKNSA-N
MW300.41 g/mol
LogP1.18
Rot. Bonds7

About 5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide

5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide (PubChem CID 169437063) has the molecular formula C14H18N2O3S and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
PubChem CID169437063
Molecular FormulaC14H18N2O3S
Molecular Weight300.41 g/mol
Exact Mass300.14
IUPAC Name5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
SMILES[2H]C([2H])([2H])N(c1cccc2c(S(=O)(=O)NCCO)cccc12)C([2H])([2H])[2H]
InChIInChI=1S/C14H18N2O3S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)15-9-10-17/h3-8,15,17H,9-10H2,1-2H3/i1D3,2D3
InChIKeyOLNUFXNRCJFBMZ-WFGJKAKNSA-N
XLogP1.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide (CID 169437063) is 5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide is [2H]C([2H])([2H])N(c1cccc2c(S(=O)(=O)NCCO)cccc12)C([2H])([2H])[2H].
What is the InChIKey of 5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide?
The InChIKey is OLNUFXNRCJFBMZ-WFGJKAKNSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)15-9-10-17/h3-8,15,17H,9-10H2,1-2H3/i1D3,2D3.
What are the key properties of 5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide?
5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 169437063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).