3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid

C10H8BrN3O4S — CID 102690909

IUPAC3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(Br)cc(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C10H8BrN3O4S/c11-7-3-6(10(15)16)4-8(5-7)14-19(17,18)9-1-2-12-13-9/h1-5,14H,(H,12,13)(H,15,16)
InChIKeyDIHAGSVMCUMBNX-UHFFFAOYSA-N
MW346.16 g/mol
LogP1.67
Rot. Bonds4

About 3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid

3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid (PubChem CID 102690909) has the molecular formula C10H8BrN3O4S and a molecular weight of 346.16 g/mol. Its IUPAC name is 3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
PubChem CID102690909
Molecular FormulaC10H8BrN3O4S
Molecular Weight346.16 g/mol
Exact Mass344.94
IUPAC Name3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(Br)cc(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C10H8BrN3O4S/c11-7-3-6(10(15)16)4-8(5-7)14-19(17,18)9-1-2-12-13-9/h1-5,14H,(H,12,13)(H,15,16)
InChIKeyDIHAGSVMCUMBNX-UHFFFAOYSA-N
XLogP1.67
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
3-bromo-5-(ethylsulfamoylamino)benzoic acid
CID 114806789
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid
CID 102690657
N-(3-chlorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691568
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692588
2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692467
3-[4-(1H-pyrazol-5-ylsulfonylamino)phenyl]butanoic acid
CID 102690958
3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
CID 107049512
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1H-pyrazole-5-sulfonamide
CID 107579091

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid (CID 102690909) is 3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid is O=C(O)c1cc(Br)cc(NS(=O)(=O)c2ccn[nH]2)c1.
What is the InChIKey of 3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
The InChIKey is DIHAGSVMCUMBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O4S/c11-7-3-6(10(15)16)4-8(5-7)14-19(17,18)9-1-2-12-13-9/h1-5,14H,(H,12,13)(H,15,16).
What are the key properties of 3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid has a molecular weight of 346.16 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 102690909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).