2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C13H15Cl2N3O2S — CID 2805504

IUPAC2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)nn(C)c2C)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2S/c1-7-5-12(11(15)6-10(7)14)21(19,20)17-13-8(2)16-18(4)9(13)3/h5-6,17H,1-4H3
InChIKeyFUWNAYVBKGTDQD-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.45
Rot. Bonds3

About 2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 2805504) has the molecular formula C13H15Cl2N3O2S and a molecular weight of 348.26 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID2805504
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC Name2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)nn(C)c2C)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2S/c1-7-5-12(11(15)6-10(7)14)21(19,20)17-13-8(2)16-18(4)9(13)3/h5-6,17H,1-4H3
InChIKeyFUWNAYVBKGTDQD-UHFFFAOYSA-N
XLogP3.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 2805504) is 2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2c(C)nn(C)c2C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is FUWNAYVBKGTDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2S/c1-7-5-12(11(15)6-10(7)14)21(19,20)17-13-8(2)16-18(4)9(13)3/h5-6,17H,1-4H3.
What are the key properties of 2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 348.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 2805504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).