N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C15H19N3O2S — CID 61022852

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19N3O2S/c1-11-14(9-16-18-11)10-17-21(19,20)15-7-6-12-4-2-3-5-13(12)8-15/h6-9,17H,2-5,10H2,1H3,(H,16,18)
InChIKeyUEKLHNKYWYJKOZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.08
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 61022852) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID61022852
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19N3O2S/c1-11-14(9-16-18-11)10-17-21(19,20)15-7-6-12-4-2-3-5-13(12)8-15/h6-9,17H,2-5,10H2,1H3,(H,16,18)
InChIKeyUEKLHNKYWYJKOZ-UHFFFAOYSA-N
XLogP2.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

3-amino-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61126378
3-fluoro-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896485
4-methyl-3-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015484
4-bromo-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 107650037
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62151905
2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide
CID 61046336
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110642085
4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 61004285
2-chloro-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 107089976
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 54896202
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26542362
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 61022852) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1[nH]ncc1CNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is UEKLHNKYWYJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-14(9-16-18-11)10-17-21(19,20)15-7-6-12-4-2-3-5-13(12)8-15/h6-9,17H,2-5,10H2,1H3,(H,16,18).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 61022852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).