2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide

C16H23N3O2S — CID 60539912

IUPAC2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(C)Cn2cccn2)c(C)c1
InChIInChI=1S/C16H23N3O2S/c1-12-8-14(3)16(15(4)9-12)22(20,21)18-10-13(2)11-19-7-5-6-17-19/h5-9,13,18H,10-11H2,1-4H3
InChIKeyFVTYTUMMNXEJHQ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.42
Rot. Bonds6

About 2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide

2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide (PubChem CID 60539912) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
PubChem CID60539912
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(C)Cn2cccn2)c(C)c1
InChIInChI=1S/C16H23N3O2S/c1-12-8-14(3)16(15(4)9-12)22(20,21)18-10-13(2)11-19-7-5-6-17-19/h5-9,13,18H,10-11H2,1-4H3
InChIKeyFVTYTUMMNXEJHQ-UHFFFAOYSA-N
XLogP2.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 55735458
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 55735040
N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide
CID 8778480
4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide
CID 99830947
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 55735133
1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide
CID 86870409
2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16793617
4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716657
2-methyl-N-propan-2-yl-3-pyrazol-1-ylpropan-1-amine
CID 62448113
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide (CID 60539912) is 2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(C)Cn2cccn2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide?
The InChIKey is FVTYTUMMNXEJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-8-14(3)16(15(4)9-12)22(20,21)18-10-13(2)11-19-7-5-6-17-19/h5-9,13,18H,10-11H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide?
2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 60539912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).