N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide

C18H17Cl2N3O2S — CID 22206528

IUPACN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c(C)c1
InChIInChI=1S/C18H17Cl2N3O2S/c1-12-3-6-17(13(2)9-12)26(24,25)22-18-7-8-23(21-18)11-14-4-5-15(19)10-16(14)20/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyKEXYRKHFIJBYFA-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.66
Rot. Bonds5

About N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 22206528) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID22206528
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c(C)c1
InChIInChI=1S/C18H17Cl2N3O2S/c1-12-3-6-17(13(2)9-12)26(24,25)22-18-7-8-23(21-18)11-14-4-5-15(19)10-16(14)20/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyKEXYRKHFIJBYFA-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206532
2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201917
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22204982
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202093
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22203620
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea
CID 17380831
2,5-difluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201923
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 17376579
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19345252

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide (CID 22206528) is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c(C)c1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is KEXYRKHFIJBYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c1-12-3-6-17(13(2)9-12)26(24,25)22-18-7-8-23(21-18)11-14-4-5-15(19)10-16(14)20/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide?
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 410.33 g/mol, XLogP of 4.66, 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-3-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22206528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).