2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide

C18H17Cl2N3O2S — CID 166336393

IUPAC2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O2S/c1-11-9-17(16(20)10-15(11)19)26(24,25)22-18-12(2)21-23(13(18)3)14-7-5-4-6-8-14/h4-10,22H,1-3H3
InChIKeyBQOKDHFZXVGFMY-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.91
Rot. Bonds4

About 2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide

2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide (PubChem CID 166336393) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
PubChem CID166336393
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O2S/c1-11-9-17(16(20)10-15(11)19)26(24,25)22-18-12(2)21-23(13(18)3)14-7-5-4-6-8-14/h4-10,22H,1-3H3
InChIKeyBQOKDHFZXVGFMY-UHFFFAOYSA-N
XLogP4.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide (CID 166336393) is 2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide?
The InChIKey is BQOKDHFZXVGFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c1-11-9-17(16(20)10-15(11)19)26(24,25)22-18-12(2)21-23(13(18)3)14-7-5-4-6-8-14/h4-10,22H,1-3H3.
What are the key properties of 2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide?
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide has a molecular weight of 410.33 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 166336393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).