4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C13H17N3O2S — CID 1078661

IUPAC4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C13H17N3O2S/c1-9-5-7-12(8-6-9)19(17,18)15-13-10(2)14-16(4)11(13)3/h5-8,15H,1-4H3
InChIKeyYITVJXFWSUWZEJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 1078661) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID1078661
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C13H17N3O2S/c1-9-5-7-12(8-6-9)19(17,18)15-13-10(2)14-16(4)11(13)3/h5-8,15H,1-4H3
InChIKeyYITVJXFWSUWZEJ-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 1078661) is 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is YITVJXFWSUWZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-5-7-12(8-6-9)19(17,18)15-13-10(2)14-16(4)11(13)3/h5-8,15H,1-4H3.
What are the key properties of 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 1078661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).