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

C13H14BrCl2N3O2S — CID 58561366

IUPAC4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H14BrCl2N3O2S/c1-7-12(8(2)18(3)17-7)19(4)22(20,21)13-10(15)5-9(14)6-11(13)16/h5-6H,1-4H3
InChIKeyHYCYVOACBCVPJA-UHFFFAOYSA-N
MW427.15 g/mol
LogP3.93
Rot. Bonds3

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

4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561366) has the molecular formula C13H14BrCl2N3O2S and a molecular weight of 427.15 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561366
Molecular FormulaC13H14BrCl2N3O2S
Molecular Weight427.15 g/mol
Exact Mass424.94
IUPAC Name4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H14BrCl2N3O2S/c1-7-12(8(2)18(3)17-7)19(4)22(20,21)13-10(15)5-9(14)6-11(13)16/h5-6H,1-4H3
InChIKeyHYCYVOACBCVPJA-UHFFFAOYSA-N
XLogP3.93
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.15
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide with MolForge

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Related Compounds

4-Bromo-2,6-Dichloro-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)benzenesulfonamide
CID 46188877
2,6-dichloro-N-(trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 8933447
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 7677838
US9156811, Ddd87766
CID 57397061
US9156811, Ddd99835
CID 46179206
US9156811, Ddd100805
CID 58561071
US9156811, Ddd85638
CID 58561129
US9156811, Ddd85637
CID 58561200
US9156811, Ddd85625
CID 58561229
4-Bromo-2,6-dichloro-N-(3-isobutyl-1,5-dimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 58561240
US9156811, Ddd85591
CID 58561317
US9156811, Ddd85593
CID 117898074

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561366) is 4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is HYCYVOACBCVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2N3O2S/c1-7-12(8(2)18(3)17-7)19(4)22(20,21)13-10(15)5-9(14)6-11(13)16/h5-6H,1-4H3.
What are the key properties of 4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 427.15 g/mol, XLogP of 3.93, 3 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-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).