2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide

C16H23N3O2S — CID 22207248

IUPAC2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCCn2cc(C)cn2)c(C)c1
InChIInChI=1S/C16H23N3O2S/c1-12-8-14(3)16(15(4)9-12)22(20,21)18-6-5-7-19-11-13(2)10-17-19/h8-11,18H,5-7H2,1-4H3
InChIKeyYAXKAWRBSHTRDO-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.49
Rot. Bonds6

About 2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide

2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide (PubChem CID 22207248) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide
PubChem CID22207248
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCCn2cc(C)cn2)c(C)c1
InChIInChI=1S/C16H23N3O2S/c1-12-8-14(3)16(15(4)9-12)22(20,21)18-6-5-7-19-11-13(2)10-17-19/h8-11,18H,5-7H2,1-4H3
InChIKeyYAXKAWRBSHTRDO-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 22208789
2,4,6-trimethyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207299
3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 22207256
2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 15943551
N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 22207231
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
2-methoxy-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 99843579
2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110641451
1-(4-bromobutyl)-4-methylpyrazole
CID 60871748
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]amino]propyl]amino]propyl]benzenesulfonamide
CID 10056638
3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide
CID 60554302
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine
CID 115715289

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide (CID 22207248) is 2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCCn2cc(C)cn2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide?
The InChIKey is YAXKAWRBSHTRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-8-14(3)16(15(4)9-12)22(20,21)18-6-5-7-19-11-13(2)10-17-19/h8-11,18H,5-7H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide?
2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.49, 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-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 22207248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).