4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C15H18BrCl2N3O2S — CID 58561228

IUPAC4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCCN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C15H18BrCl2N3O2S/c1-5-6-21(14-9(2)19-20(4)10(14)3)24(22,23)15-12(17)7-11(16)8-13(15)18/h7-8H,5-6H2,1-4H3
InChIKeyMIQKBARVRMRLRP-UHFFFAOYSA-N
MW455.21 g/mol
LogP4.71
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561228) has the molecular formula C15H18BrCl2N3O2S and a molecular weight of 455.21 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561228
Molecular FormulaC15H18BrCl2N3O2S
Molecular Weight455.21 g/mol
Exact Mass452.97
IUPAC Name4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCCN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C15H18BrCl2N3O2S/c1-5-6-21(14-9(2)19-20(4)10(14)3)24(22,23)15-12(17)7-11(16)8-13(15)18/h7-8H,5-6H2,1-4H3
InChIKeyMIQKBARVRMRLRP-UHFFFAOYSA-N
XLogP4.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.21
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561228) is 4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is CCCN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is MIQKBARVRMRLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrCl2N3O2S/c1-5-6-21(14-9(2)19-20(4)10(14)3)24(22,23)15-12(17)7-11(16)8-13(15)18/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 455.21 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-propyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).