N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide

C19H19Cl2N3O2S — CID 996044

IUPACN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c(C)c1
InChIInChI=1S/C19H19Cl2N3O2S/c1-12-6-13(2)19(14(3)7-12)27(25,26)23-17-9-22-24(11-17)10-15-4-5-16(20)8-18(15)21/h4-9,11,23H,10H2,1-3H3
InChIKeyPGPYBFPUYNCYPJ-UHFFFAOYSA-N
MW424.35 g/mol
LogP4.96
Rot. Bonds5

About N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 996044) has the molecular formula C19H19Cl2N3O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID996044
Molecular FormulaC19H19Cl2N3O2S
Molecular Weight424.35 g/mol
Exact Mass423.06
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c(C)c1
InChIInChI=1S/C19H19Cl2N3O2S/c1-12-6-13(2)19(14(3)7-12)27(25,26)23-17-9-22-24(11-17)10-15-4-5-16(20)8-18(15)21/h4-9,11,23H,10H2,1-3H3
InChIKeyPGPYBFPUYNCYPJ-UHFFFAOYSA-N
XLogP4.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 995826
N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-3-nitrobenzenesulfonamide
CID 2932214
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 4182842
[(4-Chlorophenyl)sulfonyl]{1-[(4-fluorophenyl)methyl]pyrazol-4-yl}amine
CID 17376586
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 22202037
4-(4-Chlorophenyl)-3-(4-chlorophenyl)aminosulfonyl-1-methylpyrazole
CID 71583677
2,5-dichloro-N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 4769662
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 4770491
4-chloro-N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 4770751
4-chloro-N-[1-(2-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 4772796
N-[1-(2-chlorobenzyl)-1H-pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 4772840
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 5241661

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide (CID 996044) is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c(C)c1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is PGPYBFPUYNCYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2S/c1-12-6-13(2)19(14(3)7-12)27(25,26)23-17-9-22-24(11-17)10-15-4-5-16(20)8-18(15)21/h4-9,11,23H,10H2,1-3H3.
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 424.35 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 996044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).