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

C21H28N4O2S — CID 153326589

IUPAC5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2c(N(C)C)cccc2c1
InChIInChI=1S/C21H28N4O2S/c1-7-20-19(15(2)25(6)22-20)14-24(5)28(26,27)17-11-12-18-16(13-17)9-8-10-21(18)23(3)4/h8-13H,7,14H2,1-6H3
InChIKeyLBTCHVRNWMINAZ-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.33
Rot. Bonds6

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

5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 153326589) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID153326589
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2c(N(C)C)cccc2c1
InChIInChI=1S/C21H28N4O2S/c1-7-20-19(15(2)25(6)22-20)14-24(5)28(26,27)17-11-12-18-16(13-17)9-8-10-21(18)23(3)4/h8-13H,7,14H2,1-6H3
InChIKeyLBTCHVRNWMINAZ-UHFFFAOYSA-N
XLogP3.33
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 153326589) is 5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is CCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2c(N(C)C)cccc2c1.
What is the InChIKey of 5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is LBTCHVRNWMINAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-7-20-19(15(2)25(6)22-20)14-24(5)28(26,27)17-11-12-18-16(13-17)9-8-10-21(18)23(3)4/h8-13H,7,14H2,1-6H3.
What are the key properties of 5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 400.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 153326589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).