N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C15H21N3O2S — CID 896677

IUPACN,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)Cc2cnn(C)c2)c(C)c1
InChIInChI=1S/C15H21N3O2S/c1-11-6-12(2)15(13(3)7-11)21(19,20)18(5)10-14-8-16-17(4)9-14/h6-9H,10H2,1-5H3
InChIKeyCJOUHFRZQMNSNN-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.17
Rot. Bonds4

About N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 896677) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID896677
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)Cc2cnn(C)c2)c(C)c1
InChIInChI=1S/C15H21N3O2S/c1-11-6-12(2)15(13(3)7-11)21(19,20)18(5)10-14-8-16-17(4)9-14/h6-9H,10H2,1-5H3
InChIKeyCJOUHFRZQMNSNN-UHFFFAOYSA-N
XLogP2.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 896677) is N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(C)Cc2cnn(C)c2)c(C)c1.
What is the InChIKey of N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is CJOUHFRZQMNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-6-12(2)15(13(3)7-11)21(19,20)18(5)10-14-8-16-17(4)9-14/h6-9H,10H2,1-5H3.
What are the key properties of N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,6-tetramethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 896677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).