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

C17H18N4O2S — CID 10593411

IUPAC5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cn1
InChIInChI=1S/C17H18N4O2S/c1-12-10-19-17(11-18-12)20-24(22,23)16-9-5-6-13-14(16)7-4-8-15(13)21(2)3/h4-11H,1-3H3,(H,19,20)
InChIKeyKMWSOKYMPGSVHO-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.81
Rot. Bonds4

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

5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide (PubChem CID 10593411) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
PubChem CID10593411
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cn1
InChIInChI=1S/C17H18N4O2S/c1-12-10-19-17(11-18-12)20-24(22,23)16-9-5-6-13-14(16)7-4-8-15(13)21(2)3/h4-11H,1-3H3,(H,19,20)
InChIKeyKMWSOKYMPGSVHO-UHFFFAOYSA-N
XLogP2.81
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide (CID 10593411) is 5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide is Cc1cnc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cn1.
What is the InChIKey of 5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide?
The InChIKey is KMWSOKYMPGSVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-10-19-17(11-18-12)20-24(22,23)16-9-5-6-13-14(16)7-4-8-15(13)21(2)3/h4-11H,1-3H3,(H,19,20).
What are the key properties of 5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 10593411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).