4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide

C16H23N3O2S — CID 40793287

IUPAC4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](C)n2nc(C)c(C)c2C)cc1
InChIInChI=1S/C16H23N3O2S/c1-11-6-8-16(9-7-11)22(20,21)17-10-12(2)19-15(5)13(3)14(4)18-19/h6-9,12,17H,10H2,1-5H3/t12-/m1/s1
InChIKeyNVTQQZOAOWFVIX-GFCCVEGCSA-N
MW321.45 g/mol
LogP2.66
Rot. Bonds5

About 4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide

4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide (PubChem CID 40793287) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide
PubChem CID40793287
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](C)n2nc(C)c(C)c2C)cc1
InChIInChI=1S/C16H23N3O2S/c1-11-6-8-16(9-7-11)22(20,21)17-10-12(2)19-15(5)13(3)14(4)18-19/h6-9,12,17H,10H2,1-5H3/t12-/m1/s1
InChIKeyNVTQQZOAOWFVIX-GFCCVEGCSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide (CID 40793287) is 4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](C)n2nc(C)c(C)c2C)cc1.
What is the InChIKey of 4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide?
The InChIKey is NVTQQZOAOWFVIX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-6-8-16(9-7-11)22(20,21)17-10-12(2)19-15(5)13(3)14(4)18-19/h6-9,12,17H,10H2,1-5H3/t12-/m1/s1.
What are the key properties of 4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide?
4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 40793287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).