N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide

C16H17N3O2S — CID 3853763

IUPACN-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N3O2S/c1-11-16(12(2)19(3)17-11)18-22(20,21)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,18H,1-3H3
InChIKeySWOSIYZIOWXDJS-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.99
Rot. Bonds3

About N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide

N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide (PubChem CID 3853763) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide
PubChem CID3853763
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N3O2S/c1-11-16(12(2)19(3)17-11)18-22(20,21)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,18H,1-3H3
InChIKeySWOSIYZIOWXDJS-UHFFFAOYSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hsp90-IN-27
CID 842058
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 16377462
N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 29089514
US9156811, Ddd86212
CID 58561096
US9156811, Ddd88196
CID 58561193
US9156811, Ddd90023
CID 58561235
US9156811, Ddd99760
CID 58561256
US9156811, Ddd88191
CID 58561258
US9156811, Ddd99758
CID 58561292
US9156811, Ddd88559
CID 58561335

Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide (CID 3853763) is N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide?
The InChIKey is SWOSIYZIOWXDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-16(12(2)19(3)17-11)18-22(20,21)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,18H,1-3H3.
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide?
N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 3853763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).