4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide

C11H10BrCl2N3O2S — CID 58561187

IUPAC4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H10BrCl2N3O2S/c1-6-10(5-17(2)15-6)16-20(18,19)11-8(13)3-7(12)4-9(11)14/h3-5,16H,1-2H3
InChIKeyQNUYJGWNSQZJOX-UHFFFAOYSA-N
MW399.10 g/mol
LogP3.60
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561187) has the molecular formula C11H10BrCl2N3O2S and a molecular weight of 399.10 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561187
Molecular FormulaC11H10BrCl2N3O2S
Molecular Weight399.10 g/mol
Exact Mass396.91
IUPAC Name4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H10BrCl2N3O2S/c1-6-10(5-17(2)15-6)16-20(18,19)11-8(13)3-7(12)4-9(11)14/h3-5,16H,1-2H3
InChIKeyQNUYJGWNSQZJOX-UHFFFAOYSA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.10
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide (CID 58561187) is 4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is QNUYJGWNSQZJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2N3O2S/c1-6-10(5-17(2)15-6)16-20(18,19)11-8(13)3-7(12)4-9(11)14/h3-5,16H,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 399.10 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).