3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

C10H8BrN3O4S — CID 64527883

IUPAC3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C10H8BrN3O4S/c11-6-2-1-3-7(4-6)19(17,18)14-9-5-8(10(15)16)12-13-9/h1-5H,(H,15,16)(H2,12,13,14)
InChIKeyNEPUWSRZVUFTPP-UHFFFAOYSA-N
MW346.16 g/mol
LogP1.67
Rot. Bonds4

About 3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64527883) has the molecular formula C10H8BrN3O4S and a molecular weight of 346.16 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID64527883
Molecular FormulaC10H8BrN3O4S
Molecular Weight346.16 g/mol
Exact Mass344.94
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C10H8BrN3O4S/c11-6-2-1-3-7(4-6)19(17,18)14-9-5-8(10(15)16)12-13-9/h1-5H,(H,15,16)(H2,12,13,14)
InChIKeyNEPUWSRZVUFTPP-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

3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112697809
3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64526713
3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527691
3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527885
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356
3-[[4-(cyanomethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 79184901
3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid
CID 64527301
3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid
CID 116786477
3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528858
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid
CID 62534954
3-bromo-N-quinolin-2-ylbenzenesulfonamide
CID 166063346
3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
CID 102671942

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (CID 64527883) is 3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)c2cccc(Br)c2)n[nH]1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is NEPUWSRZVUFTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O4S/c11-6-2-1-3-7(4-6)19(17,18)14-9-5-8(10(15)16)12-13-9/h1-5H,(H,15,16)(H2,12,13,14).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic 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-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).