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

C10H8BrCl2N3O2S — CID 47183721

IUPAC4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cn1
InChIInChI=1S/C10H8BrCl2N3O2S/c1-16-5-7(4-14-16)15-19(17,18)10-8(12)2-6(11)3-9(10)13/h2-5,15H,1H3
InChIKeyIRZYOEHDUKACJG-UHFFFAOYSA-N
MW385.07 g/mol
LogP3.29
Rot. Bonds3

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

4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 47183721) has the molecular formula C10H8BrCl2N3O2S and a molecular weight of 385.07 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID47183721
Molecular FormulaC10H8BrCl2N3O2S
Molecular Weight385.07 g/mol
Exact Mass382.89
IUPAC Name4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cn1
InChIInChI=1S/C10H8BrCl2N3O2S/c1-16-5-7(4-14-16)15-19(17,18)10-8(12)2-6(11)3-9(10)13/h2-5,15H,1H3
InChIKeyIRZYOEHDUKACJG-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.07
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-2,6-Dichloro-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)benzenesulfonamide
CID 46188877
US9156811, Ddd73490
CID 58561366
US9156811, Ddd99835
CID 46179206
US9156811, Ddd100805
CID 58561071
US9156811, Ddd85638
CID 58561129
US9156811, Ddd85637
CID 58561200
US9156811, Ddd85591
CID 58561317
4-Bromo-2-chloro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 9115879
4-Bromo-2,6-dichloro-N-(1,3-dimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 58561187
US9156811, Ddd85594
CID 58561228
US9156811, Ddd85631
CID 58561370
US9156811, Ddd85630
CID 58561410

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 47183721) is 4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cn1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is IRZYOEHDUKACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2N3O2S/c1-16-5-7(4-14-16)15-19(17,18)10-8(12)2-6(11)3-9(10)13/h2-5,15H,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 385.07 g/mol, XLogP of 3.29, 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-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 47183721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).