N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C21H25N3O3S — CID 71806228

IUPACN-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N3O3S/c1-15-20(16(2)24(4)23-15)28(26,27)22-14-21(3,25)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,22,25H,14H2,1-4H3
InChIKeyRPSAHOXIWKSYDM-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.89
Rot. Bonds6

About N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806228) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806228
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N3O3S/c1-15-20(16(2)24(4)23-15)28(26,27)22-14-21(3,25)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,22,25H,14H2,1-4H3
InChIKeyRPSAHOXIWKSYDM-UHFFFAOYSA-N
XLogP2.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806228) is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(C)(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is RPSAHOXIWKSYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-15-20(16(2)24(4)23-15)28(26,27)22-14-21(3,25)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,22,25H,14H2,1-4H3.
What are the key properties of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 399.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).