4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide

C9H6BrCl2N3O2S — CID 61394406

IUPAC4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H6BrCl2N3O2S/c10-5-3-6(11)9(7(12)4-5)18(16,17)15-8-1-2-13-14-8/h1-4H,(H2,13,14,15)
InChIKeyONPMMTYBAUBNLA-UHFFFAOYSA-N
MW371.04 g/mol
LogP3.28
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 61394406) has the molecular formula C9H6BrCl2N3O2S and a molecular weight of 371.04 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID61394406
Molecular FormulaC9H6BrCl2N3O2S
Molecular Weight371.04 g/mol
Exact Mass368.87
IUPAC Name4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H6BrCl2N3O2S/c10-5-3-6(11)9(7(12)4-5)18(16,17)15-8-1-2-13-14-8/h1-4H,(H2,13,14,15)
InChIKeyONPMMTYBAUBNLA-UHFFFAOYSA-N
XLogP3.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.04
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393048
2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394148
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 103077395
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102990139
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393032
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 56684268
4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 60640543
5-bromo-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 79989224
4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 60660830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 61394406) is 4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccn[nH]1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is ONPMMTYBAUBNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2N3O2S/c10-5-3-6(11)9(7(12)4-5)18(16,17)15-8-1-2-13-14-8/h1-4H,(H2,13,14,15).
What are the key properties of 4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 371.04 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 61394406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).