5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide

C18H20N4O3S — CID 10667000

IUPAC5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H20N4O3S/c1-12-11-19-17(18(20-12)25-4)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-11H,1-4H3,(H,19,21)
InChIKeyOWLNCBVMDZBDPC-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.81
Rot. Bonds5

About 5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide (PubChem CID 10667000) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
PubChem CID10667000
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H20N4O3S/c1-12-11-19-17(18(20-12)25-4)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-11H,1-4H3,(H,19,21)
InChIKeyOWLNCBVMDZBDPC-UHFFFAOYSA-N
XLogP2.81
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide (CID 10667000) is 5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide is COc1nc(C)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide?
The InChIKey is OWLNCBVMDZBDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12-11-19-17(18(20-12)25-4)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-11H,1-4H3,(H,19,21).
What are the key properties of 5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 10667000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).