N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide

C23H20ClN3O4S — CID 135424894

IUPACN-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O
InChIInChI=1S/C23H20ClN3O4S/c1-26(15-16-7-3-2-4-8-16)32(30,31)23-13-17(21(28)14-22(23)29)19-11-12-25-27(19)20-10-6-5-9-18(20)24/h2-14,28-29H,15H2,1H3
InChIKeyGZKZNKLYDOAKGP-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.42
Rot. Bonds6

About N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide

N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide (PubChem CID 135424894) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide
PubChem CID135424894
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC NameN-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O
InChIInChI=1S/C23H20ClN3O4S/c1-26(15-16-7-3-2-4-8-16)32(30,31)23-13-17(21(28)14-22(23)29)19-11-12-25-27(19)20-10-6-5-9-18(20)24/h2-14,28-29H,15H2,1H3
InChIKeyGZKZNKLYDOAKGP-UHFFFAOYSA-N
XLogP4.42
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxyphenyl]sulfonyl-methylamino]-N,N-dimethylacetamide
CID 135513035
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
CID 67100472
N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide
CID 175262057
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide
CID 67100868
5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethoxy]phenyl]methyl]benzamide
CID 135910358
N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide
CID 10215206
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67101023
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005
2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine
CID 56956121
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylbenzenesulfonamide
CID 30173939
2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
CID 42736783

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide (CID 135424894) is N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O.
What is the InChIKey of N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide?
The InChIKey is GZKZNKLYDOAKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-26(15-16-7-3-2-4-8-16)32(30,31)23-13-17(21(28)14-22(23)29)19-11-12-25-27(19)20-10-6-5-9-18(20)24/h2-14,28-29H,15H2,1H3.
What are the key properties of N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide?
N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide has a molecular weight of 469.95 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 135424894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).