5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

C19H24N4O2S — CID 153326548

IUPAC5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1ccc2c(N(C)C)cccc2c1
InChIInChI=1S/C19H24N4O2S/c1-14-16(12-22(4)20-14)13-23(5)26(24,25)17-9-10-18-15(11-17)7-6-8-19(18)21(2)3/h6-12H,13H2,1-5H3
InChIKeyWTTXVIFFMSIRBC-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.77
Rot. Bonds5

About 5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 153326548) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID153326548
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1ccc2c(N(C)C)cccc2c1
InChIInChI=1S/C19H24N4O2S/c1-14-16(12-22(4)20-14)13-23(5)26(24,25)17-9-10-18-15(11-17)7-6-8-19(18)21(2)3/h6-12H,13H2,1-5H3
InChIKeyWTTXVIFFMSIRBC-UHFFFAOYSA-N
XLogP2.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 153326548) is 5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is Cc1nn(C)cc1CN(C)S(=O)(=O)c1ccc2c(N(C)C)cccc2c1.
What is the InChIKey of 5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is WTTXVIFFMSIRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-16(12-22(4)20-14)13-23(5)26(24,25)17-9-10-18-15(11-17)7-6-8-19(18)21(2)3/h6-12H,13H2,1-5H3.
What are the key properties of 5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 153326548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).