2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

C18H17Cl2N3O2S — CID 9191229

IUPAC2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2N3O2S/c1-12-15(13(2)23(22-12)14-7-4-3-5-8-14)11-21-26(24,25)18-16(19)9-6-10-17(18)20/h3-10,21H,11H2,1-2H3
InChIKeySKVTYIKLFZMFER-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.27
Rot. Bonds5

About 2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 9191229) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID9191229
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2N3O2S/c1-12-15(13(2)23(22-12)14-7-4-3-5-8-14)11-21-26(24,25)18-16(19)9-6-10-17(18)20/h3-10,21H,11H2,1-2H3
InChIKeySKVTYIKLFZMFER-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274
6-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 9191231
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 7028073
2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191234
3-acetyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191226
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
CID 35524432
3,5-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 17375894
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17375842
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 39969897
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(ethylsulfamoyl)benzamide
CID 134034024
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide (CID 9191229) is 2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is SKVTYIKLFZMFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c1-12-15(13(2)23(22-12)14-7-4-3-5-8-14)11-21-26(24,25)18-16(19)9-6-10-17(18)20/h3-10,21H,11H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 410.33 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 9191229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).