4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide

C14H16BrCl2N3O2S — CID 46179206

IUPAC4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCCc1nn(C)c(CC)c1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H16BrCl2N3O2S/c1-4-11-13(12(5-2)20(3)18-11)19-23(21,22)14-9(16)6-8(15)7-10(14)17/h6-7,19H,4-5H2,1-3H3
InChIKeyMFFFYMOEBXSVSO-UHFFFAOYSA-N
MW441.18 g/mol
LogP4.41
Rot. Bonds5

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

4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 46179206) has the molecular formula C14H16BrCl2N3O2S and a molecular weight of 441.18 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID46179206
Molecular FormulaC14H16BrCl2N3O2S
Molecular Weight441.18 g/mol
Exact Mass438.95
IUPAC Name4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCCc1nn(C)c(CC)c1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H16BrCl2N3O2S/c1-4-11-13(12(5-2)20(3)18-11)19-23(21,22)14-9(16)6-8(15)7-10(14)17/h6-7,19H,4-5H2,1-3H3
InChIKeyMFFFYMOEBXSVSO-UHFFFAOYSA-N
XLogP4.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.18
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
US9156811, Ddd73490
CID 58561366
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 7677838
US9156811, Ddd87766
CID 57397061
US9156811, Ddd100805
CID 58561071
US9156811, Ddd85638
CID 58561129
US9156811, Ddd100871
CID 58561190
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide (CID 46179206) is 4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide is CCc1nn(C)c(CC)c1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is MFFFYMOEBXSVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrCl2N3O2S/c1-4-11-13(12(5-2)20(3)18-11)19-23(21,22)14-9(16)6-8(15)7-10(14)17/h6-7,19H,4-5H2,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 441.18 g/mol, XLogP of 4.41, 5 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-(3,5-diethyl-1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 46179206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).