3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide

C10H9N3O3S — CID 107589119

IUPAC3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cncnc1)c1cccc(O)c1
InChIInChI=1S/C10H9N3O3S/c14-9-2-1-3-10(4-9)17(15,16)13-8-5-11-7-12-6-8/h1-7,13-14H
InChIKeyJKJXIMMQHDDPAT-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.98
Rot. Bonds3

About 3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide

3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107589119) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107589119
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cncnc1)c1cccc(O)c1
InChIInChI=1S/C10H9N3O3S/c14-9-2-1-3-10(4-9)17(15,16)13-8-5-11-7-12-6-8/h1-7,13-14H
InChIKeyJKJXIMMQHDDPAT-UHFFFAOYSA-N
XLogP0.98
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
N-[4-[(3-hydroxyphenyl)sulfonylamino]phenyl]acetamide
CID 81264893
3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588975
3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 81259188
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107589026
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide (CID 107589119) is 3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide is O=S(=O)(Nc1cncnc1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is JKJXIMMQHDDPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-9-2-1-3-10(4-9)17(15,16)13-8-5-11-7-12-6-8/h1-7,13-14H.
What are the key properties of 3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide?
3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 251.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107589119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).