2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

C14H18ClN3O2S — CID 151990254

IUPAC2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2S/c1-10-12(11(2)18(4)16-10)9-17(3)21(19,20)14-8-6-5-7-13(14)15/h5-8H,9H2,1-4H3
InChIKeyUENCIZBSYHRQTK-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.51
Rot. Bonds4

About 2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 151990254) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID151990254
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2S/c1-10-12(11(2)18(4)16-10)9-17(3)21(19,20)14-8-6-5-7-13(14)15/h5-8H,9H2,1-4H3
InChIKeyUENCIZBSYHRQTK-UHFFFAOYSA-N
XLogP2.51
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (CID 151990254) is 2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is UENCIZBSYHRQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-10-12(11(2)18(4)16-10)9-17(3)21(19,20)14-8-6-5-7-13(14)15/h5-8H,9H2,1-4H3.
What are the key properties of 2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 151990254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).