N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide

C13H17N3O2S — CID 19577878

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cnn(C)c2C)cc1
InChIInChI=1S/C13H17N3O2S/c1-10-4-6-13(7-5-10)19(17,18)15-9-12-8-14-16(3)11(12)2/h4-8,15H,9H2,1-3H3
InChIKeyXLZMKQBQHDEAIJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.52
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 19577878) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID19577878
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cnn(C)c2C)cc1
InChIInChI=1S/C13H17N3O2S/c1-10-4-6-13(7-5-10)19(17,18)15-9-12-8-14-16(3)11(12)2/h4-8,15H,9H2,1-3H3
InChIKeyXLZMKQBQHDEAIJ-UHFFFAOYSA-N
XLogP1.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106041696
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]benzenecarbothioamide
CID 106035645
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106049625
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044391
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044385
4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide
CID 106833536
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 106033808
4-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 90538579
6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106049660
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide (CID 19577878) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cnn(C)c2C)cc1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is XLZMKQBQHDEAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-4-6-13(7-5-10)19(17,18)15-9-12-8-14-16(3)11(12)2/h4-8,15H,9H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.52, 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-4-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 19577878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).