5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide

C19H21N3O2S — CID 3795754

IUPAC5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1
InChIInChI=1S/C19H21N3O2S/c1-13-11-14(2)20-19(12-13)21-25(23,24)18-10-6-7-15-16(18)8-5-9-17(15)22(3)4/h5-12H,1-4H3,(H,20,21)
InChIKeyYULWZSRKHHDRAP-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.72
Rot. Bonds4

About 5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide (PubChem CID 3795754) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide
PubChem CID3795754
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1
InChIInChI=1S/C19H21N3O2S/c1-13-11-14(2)20-19(12-13)21-25(23,24)18-10-6-7-15-16(18)8-5-9-17(15)22(3)4/h5-12H,1-4H3,(H,20,21)
InChIKeyYULWZSRKHHDRAP-UHFFFAOYSA-N
XLogP3.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide (CID 3795754) is 5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1.
What is the InChIKey of 5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide?
The InChIKey is YULWZSRKHHDRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-11-14(2)20-19(12-13)21-25(23,24)18-10-6-7-15-16(18)8-5-9-17(15)22(3)4/h5-12H,1-4H3,(H,20,21).
What are the key properties of 5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3795754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).