N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C16H23N3O2S — CID 22206016

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2cc(C)n(C)n2)c1C
InChIInChI=1S/C16H23N3O2S/c1-10-7-11(2)14(5)16(13(10)4)22(20,21)17-9-15-8-12(3)19(6)18-15/h7-8,17H,9H2,1-6H3
InChIKeyDXJCJHVHWLZGEN-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.44
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 22206016) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID22206016
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2cc(C)n(C)n2)c1C
InChIInChI=1S/C16H23N3O2S/c1-10-7-11(2)14(5)16(13(10)4)22(20,21)17-9-15-8-12(3)19(6)18-15/h7-8,17H,9H2,1-6H3
InChIKeyDXJCJHVHWLZGEN-UHFFFAOYSA-N
XLogP2.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 22206016) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2cc(C)n(C)n2)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is DXJCJHVHWLZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-7-11(2)14(5)16(13(10)4)22(20,21)17-9-15-8-12(3)19(6)18-15/h7-8,17H,9H2,1-6H3.
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 22206016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).