N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide

C20H23N3O2S — CID 42282442

IUPACN-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-16(2)22-15-20(17(3)21-22)26(24,25)23(19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,15-16H,14H2,1-3H3
InChIKeyZNDYHPJDHSQGIA-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.17
Rot. Bonds6

About N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide

N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42282442) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42282442
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-16(2)22-15-20(17(3)21-22)26(24,25)23(19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,15-16H,14H2,1-3H3
InChIKeyZNDYHPJDHSQGIA-UHFFFAOYSA-N
XLogP4.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 42282442) is N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is ZNDYHPJDHSQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-16(2)22-15-20(17(3)21-22)26(24,25)23(19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,15-16H,14H2,1-3H3.
What are the key properties of N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).