4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide

C18H17Cl2N3O2S — CID 22204566

IUPAC4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)c(C)cc1Cl
InChIInChI=1S/C18H17Cl2N3O2S/c1-12-8-18(13(2)7-17(12)20)26(24,25)22-15-9-21-23(11-15)10-14-5-3-4-6-16(14)19/h3-9,11,22H,10H2,1-2H3
InChIKeyWVWRWLZFSAGPRQ-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.66
Rot. Bonds5

About 4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide

4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 22204566) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID22204566
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)c(C)cc1Cl
InChIInChI=1S/C18H17Cl2N3O2S/c1-12-8-18(13(2)7-17(12)20)26(24,25)22-15-9-21-23(11-15)10-14-5-3-4-6-16(14)19/h3-9,11,22H,10H2,1-2H3
InChIKeyWVWRWLZFSAGPRQ-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

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
CID 22204533
5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4770047
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 17376645
2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204580
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22207089
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22203015
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide (CID 22204566) is 4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is WVWRWLZFSAGPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c1-12-8-18(13(2)7-17(12)20)26(24,25)22-15-9-21-23(11-15)10-14-5-3-4-6-16(14)19/h3-9,11,22H,10H2,1-2H3.
What are the key properties of 4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-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 4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22204566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).