N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide

C8H7BrN4O2S — CID 102691291

IUPACN-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ncccc1Br)c1ccn[nH]1
InChIInChI=1S/C8H7BrN4O2S/c9-6-2-1-4-10-8(6)13-16(14,15)7-3-5-11-12-7/h1-5H,(H,10,13)(H,11,12)
InChIKeyWQCSPKPNRQWSER-UHFFFAOYSA-N
MW303.14 g/mol
LogP1.37
Rot. Bonds3

About N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide

N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691291) has the molecular formula C8H7BrN4O2S and a molecular weight of 303.14 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691291
Molecular FormulaC8H7BrN4O2S
Molecular Weight303.14 g/mol
Exact Mass301.95
IUPAC NameN-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ncccc1Br)c1ccn[nH]1
InChIInChI=1S/C8H7BrN4O2S/c9-6-2-1-4-10-8(6)13-16(14,15)7-3-5-11-12-7/h1-5H,(H,10,13)(H,11,12)
InChIKeyWQCSPKPNRQWSER-UHFFFAOYSA-N
XLogP1.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide (CID 102691291) is N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1ncccc1Br)c1ccn[nH]1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is WQCSPKPNRQWSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2S/c9-6-2-1-4-10-8(6)13-16(14,15)7-3-5-11-12-7/h1-5H,(H,10,13)(H,11,12).
What are the key properties of N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide?
N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 303.14 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).