N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide

C15H15N3O3S — CID 86868856

IUPACN-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)C2=Cc3ccccc3CC2)cn1
InChIInChI=1S/C15H15N3O3S/c1-18-10-13(9-16-18)15(19)17-22(20,21)14-7-6-11-4-2-3-5-12(11)8-14/h2-5,8-10H,6-7H2,1H3,(H,17,19)
InChIKeyDWKRUTQOFWPQLP-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.47
Rot. Bonds3

About N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide

N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide (PubChem CID 86868856) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide
PubChem CID86868856
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)C2=Cc3ccccc3CC2)cn1
InChIInChI=1S/C15H15N3O3S/c1-18-10-13(9-16-18)15(19)17-22(20,21)14-7-6-11-4-2-3-5-12(11)8-14/h2-5,8-10H,6-7H2,1H3,(H,17,19)
InChIKeyDWKRUTQOFWPQLP-UHFFFAOYSA-N
XLogP1.47
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide (CID 86868856) is N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)C2=Cc3ccccc3CC2)cn1.
What is the InChIKey of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is DWKRUTQOFWPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-18-10-13(9-16-18)15(19)17-22(20,21)14-7-6-11-4-2-3-5-12(11)8-14/h2-5,8-10H,6-7H2,1H3,(H,17,19).
What are the key properties of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide?
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86868856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).