1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide

C16H21N3O2S — CID 3243361

IUPAC1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1CCCc2ccccc21
InChIInChI=1S/C16H21N3O2S/c1-11-16(12(2)19(3)17-11)22(20,21)18-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,18H,6,8,10H2,1-3H3
InChIKeyJSCNRZATTXBWEF-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.39
Rot. Bonds3

About 1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide (PubChem CID 3243361) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
PubChem CID3243361
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1CCCc2ccccc21
InChIInChI=1S/C16H21N3O2S/c1-11-16(12(2)19(3)17-11)22(20,21)18-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,18H,6,8,10H2,1-3H3
InChIKeyJSCNRZATTXBWEF-UHFFFAOYSA-N
XLogP2.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hsp90-IN-27
CID 842058
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5309777
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 57471330
US9156811, Ddd100862
CID 58561167
US9156811, Ddd88560
CID 58561234
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 969900
N-(2,5-dimethylphenyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3236338

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide (CID 3243361) is 1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC1CCCc2ccccc21.
What is the InChIKey of 1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
The InChIKey is JSCNRZATTXBWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-16(12(2)19(3)17-11)22(20,21)18-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,18H,6,8,10H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 3243361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).