N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C15H19N3O2S — CID 115750894

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1C
InChIInChI=1S/C15H19N3O2S/c1-10-11(2)16-17-15(10)18-21(19,20)14-8-7-12-5-3-4-6-13(12)9-14/h7-9H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyAJZQTMQYUBBVQW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.71
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 115750894) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID115750894
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1C
InChIInChI=1S/C15H19N3O2S/c1-10-11(2)16-17-15(10)18-21(19,20)14-8-7-12-5-3-4-6-13(12)9-14/h7-9H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyAJZQTMQYUBBVQW-UHFFFAOYSA-N
XLogP2.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 22434350
2-chloro-5-[(4,5-dimethyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617545
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-fluoro-4-nitrobenzenesulfonamide
CID 104620831
N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 136537734
4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115750953
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 61022852
N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 166374396
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 115750918
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 115750920
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 115750900
N-(5-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35523329
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 71850721

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 115750894) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1[nH]nc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is AJZQTMQYUBBVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-11(2)16-17-15(10)18-21(19,20)14-8-7-12-5-3-4-6-13(12)9-14/h7-9H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 115750894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).