N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide

C29H24ClN3O3S — CID 2502427

IUPACN-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C29H24ClN3O3S/c1-36-27-18-16-26(17-19-27)33(37(34,35)28-10-6-3-7-11-28)21-23-20-32(25-8-4-2-5-9-25)31-29(23)22-12-14-24(30)15-13-22/h2-20H,21H2,1H3
InChIKeyAZOKVFODVQEGGW-UHFFFAOYSA-N
MW530.05 g/mol
LogP6.60
Rot. Bonds8

About N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide

N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 2502427) has the molecular formula C29H24ClN3O3S and a molecular weight of 530.05 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID2502427
Molecular FormulaC29H24ClN3O3S
Molecular Weight530.05 g/mol
Exact Mass529.12
IUPAC NameN-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C29H24ClN3O3S/c1-36-27-18-16-26(17-19-27)33(37(34,35)28-10-6-3-7-11-28)21-23-20-32(25-8-4-2-5-9-25)31-29(23)22-12-14-24(30)15-13-22/h2-20H,21H2,1H3
InChIKeyAZOKVFODVQEGGW-UHFFFAOYSA-N
XLogP6.60
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.05
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871979
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2093777
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbut-2-enamide
CID 39736625
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide
CID 52576996
CID 67048003
CID 67048003
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2533151

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 2502427) is N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is AZOKVFODVQEGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O3S/c1-36-27-18-16-26(17-19-27)33(37(34,35)28-10-6-3-7-11-28)21-23-20-32(25-8-4-2-5-9-25)31-29(23)22-12-14-24(30)15-13-22/h2-20H,21H2,1H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 530.05 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2502427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).