5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

C13H15Cl2N3O2S — CID 3826440

IUPAC5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1cccc(Cl)c1CNS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C13H15Cl2N3O2S/c1-8-5-4-6-11(14)10(8)7-16-21(19,20)12-9(2)17-18(3)13(12)15/h4-6,16H,7H2,1-3H3
InChIKeyCBIGVJNUEKHLNG-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.82
Rot. Bonds4

About 5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 3826440) has the molecular formula C13H15Cl2N3O2S and a molecular weight of 348.26 g/mol. Its IUPAC name is 5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID3826440
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC Name5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1cccc(Cl)c1CNS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C13H15Cl2N3O2S/c1-8-5-4-6-11(14)10(8)7-16-21(19,20)12-9(2)17-18(3)13(12)15/h4-6,16H,7H2,1-3H3
InChIKeyCBIGVJNUEKHLNG-UHFFFAOYSA-N
XLogP2.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 3826440) is 5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1cccc(Cl)c1CNS(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is CBIGVJNUEKHLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2S/c1-8-5-4-6-11(14)10(8)7-16-21(19,20)12-9(2)17-18(3)13(12)15/h4-6,16H,7H2,1-3H3.
What are the key properties of 5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 348.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 3826440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).