N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide

C25H23ClN4O3S — CID 87726763

IUPACN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide
SMILESCn1nc(-c2ccccc2)cc1N(C=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C25H23ClN4O3S/c1-28-25(16-24(27-28)19-8-4-3-5-9-19)29(18-31)21-12-14-22(15-13-21)30(34(2,32)33)17-20-10-6-7-11-23(20)26/h3-16,18H,17H2,1-2H3
InChIKeyFWBUIFPJWQARPB-UHFFFAOYSA-N
MW495.00 g/mol
LogP5.00
Rot. Bonds8

About N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide

N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide (PubChem CID 87726763) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide
PubChem CID87726763
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC NameN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide
SMILESCn1nc(-c2ccccc2)cc1N(C=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C25H23ClN4O3S/c1-28-25(16-24(27-28)19-8-4-3-5-9-19)29(18-31)21-12-14-22(15-13-21)30(34(2,32)33)17-20-10-6-7-11-23(20)26/h3-16,18H,17H2,1-2H3
InChIKeyFWBUIFPJWQARPB-UHFFFAOYSA-N
XLogP5.00
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.00
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide 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-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide (CID 87726763) is N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide is Cn1nc(-c2ccccc2)cc1N(C=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide?
The InChIKey is FWBUIFPJWQARPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c1-28-25(16-24(27-28)19-8-4-3-5-9-19)29(18-31)21-12-14-22(15-13-21)30(34(2,32)33)17-20-10-6-7-11-23(20)26/h3-16,18H,17H2,1-2H3.
What are the key properties of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide?
N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide has a molecular weight of 495.00 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide is sourced from PubChem (CID 87726763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).