N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide

C14H15N3O2S — CID 18125779

IUPACN-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide
SMILESCn1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)n1
InChIInChI=1S/C14H15N3O2S/c1-17-9-8-14(15-17)16-20(18,19)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,8-10H,6-7H2,1H3,(H,15,16)
InChIKeyXTBDLZOWAJQPMZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.15
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide

N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 18125779) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID18125779
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide
SMILESCn1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)n1
InChIInChI=1S/C14H15N3O2S/c1-17-9-8-14(15-17)16-20(18,19)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,8-10H,6-7H2,1H3,(H,15,16)
InChIKeyXTBDLZOWAJQPMZ-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide (CID 18125779) is N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide is Cn1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is XTBDLZOWAJQPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-17-9-8-14(15-17)16-20(18,19)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,8-10H,6-7H2,1H3,(H,15,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide?
N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 18125779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).