5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide

C16H16N4O2S — CID 10496523

IUPAC5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ncccn3)cccc12
InChIInChI=1S/C16H16N4O2S/c1-20(2)14-8-3-7-13-12(14)6-4-9-15(13)23(21,22)19-16-17-10-5-11-18-16/h3-11H,1-2H3,(H,17,18,19)
InChIKeyMSQQFEVXXADDJG-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.50
Rot. Bonds4

About 5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide

5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide (PubChem CID 10496523) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide
PubChem CID10496523
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ncccn3)cccc12
InChIInChI=1S/C16H16N4O2S/c1-20(2)14-8-3-7-13-12(14)6-4-9-15(13)23(21,22)19-16-17-10-5-11-18-16/h3-11H,1-2H3,(H,17,18,19)
InChIKeyMSQQFEVXXADDJG-UHFFFAOYSA-N
XLogP2.50
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide (CID 10496523) is 5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ncccn3)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide?
The InChIKey is MSQQFEVXXADDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-20(2)14-8-3-7-13-12(14)6-4-9-15(13)23(21,22)19-16-17-10-5-11-18-16/h3-11H,1-2H3,(H,17,18,19).
What are the key properties of 5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide?
5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-pyrimidin-2-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 10496523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).