N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide

C24H30N4O3S — CID 127042185

IUPACN,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C24H30N4O3S/c1-26-19-22(18-25-26)32(29,30)27(2)21-12-14-28(15-13-21)16-17-31-24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-11,18-19,21H,12-17H2,1-2H3
InChIKeyVDUFANHTAMLEII-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.25
Rot. Bonds8

About N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide

N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide (PubChem CID 127042185) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
PubChem CID127042185
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C24H30N4O3S/c1-26-19-22(18-25-26)32(29,30)27(2)21-12-14-28(15-13-21)16-17-31-24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-11,18-19,21H,12-17H2,1-2H3
InChIKeyVDUFANHTAMLEII-UHFFFAOYSA-N
XLogP3.25
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide (CID 127042185) is N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide is CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The InChIKey is VDUFANHTAMLEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-26-19-22(18-25-26)32(29,30)27(2)21-12-14-28(15-13-21)16-17-31-24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-11,18-19,21H,12-17H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide has a molecular weight of 454.60 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 127042185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).