2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C10H9Br2N3O2S — CID 8933112

IUPAC2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)n1
InChIInChI=1S/C10H9Br2N3O2S/c1-15-5-4-10(13-15)14-18(16,17)9-6-7(11)2-3-8(9)12/h2-6H,1H3,(H,13,14)
InChIKeyQVTWDTHVNVDTJT-UHFFFAOYSA-N
MW395.08 g/mol
LogP2.75
Rot. Bonds3

About 2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide

2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 8933112) has the molecular formula C10H9Br2N3O2S and a molecular weight of 395.08 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID8933112
Molecular FormulaC10H9Br2N3O2S
Molecular Weight395.08 g/mol
Exact Mass392.88
IUPAC Name2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)n1
InChIInChI=1S/C10H9Br2N3O2S/c1-15-5-4-10(13-15)14-18(16,17)9-6-7(11)2-3-8(9)12/h2-6H,1H3,(H,13,14)
InChIKeyQVTWDTHVNVDTJT-UHFFFAOYSA-N
XLogP2.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.08
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808912
2-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 5014149
2,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 16378088
2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 17402540
4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209049
2,5-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209056
3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209057
N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide
CID 22209168
N-(1-ethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 22209186
N-(1-ethylpyrazol-3-yl)-2,5-difluorobenzenesulfonamide
CID 22209188
N-(1-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide
CID 22209189

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 8933112) is 2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)n1.
What is the InChIKey of 2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is QVTWDTHVNVDTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O2S/c1-15-5-4-10(13-15)14-18(16,17)9-6-7(11)2-3-8(9)12/h2-6H,1H3,(H,13,14).
What are the key properties of 2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 395.08 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 8933112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).