2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C15H21N3O2S — CID 22209061

IUPAC2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccn(C)n2)c(C)c1C
InChIInChI=1S/C15H21N3O2S/c1-9-10(2)12(4)15(13(5)11(9)3)21(19,20)17-14-7-8-18(6)16-14/h7-8H,1-6H3,(H,16,17)
InChIKeyHMJZCEOWWDGXMA-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.76
Rot. Bonds3

About 2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 22209061) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID22209061
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccn(C)n2)c(C)c1C
InChIInChI=1S/C15H21N3O2S/c1-9-10(2)12(4)15(13(5)11(9)3)21(19,20)17-14-7-8-18(6)16-14/h7-8H,1-6H3,(H,16,17)
InChIKeyHMJZCEOWWDGXMA-UHFFFAOYSA-N
XLogP2.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 22209066
4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 79589626
1-methyl-3-(sulfamoylamino)pyrazole
CID 112573559
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81423518
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 114379018
3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 25041271
N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 17378925
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60823882
2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide
CID 55043689
4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 54921777
3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 115421296
3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 54920333

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 22209061) is 2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccn(C)n2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is HMJZCEOWWDGXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9-10(2)12(4)15(13(5)11(9)3)21(19,20)17-14-7-8-18(6)16-14/h7-8H,1-6H3,(H,16,17).
What are the key properties of 2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 22209061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).