3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide

C12H13N3O3S — CID 81259080

IUPAC3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCc1nccc(CNS(=O)(=O)c2cccc(O)c2)n1
InChIInChI=1S/C12H13N3O3S/c1-9-13-6-5-10(15-9)8-14-19(17,18)12-4-2-3-11(16)7-12/h2-7,14,16H,8H2,1H3
InChIKeyOQFRHSGIPALPNY-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.97
Rot. Bonds4

About 3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide

3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 81259080) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID81259080
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCc1nccc(CNS(=O)(=O)c2cccc(O)c2)n1
InChIInChI=1S/C12H13N3O3S/c1-9-13-6-5-10(15-9)8-14-19(17,18)12-4-2-3-11(16)7-12/h2-7,14,16H,8H2,1H3
InChIKeyOQFRHSGIPALPNY-UHFFFAOYSA-N
XLogP0.97
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 81259149
4-amino-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61126991
2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanesulfonamide
CID 79578505
5-(aminomethyl)-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 106013710
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967753
4-amino-2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61125639
2-(aminomethyl)-5-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 106013682
2-amino-5-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61126794
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558
2-[(2-methylpyrimidin-4-yl)methylsulfamoyl]propanoic acid
CID 54947709
2-bromo-4,6-difluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61066611
2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide
CID 62157635

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 81259080) is 3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide is Cc1nccc(CNS(=O)(=O)c2cccc(O)c2)n1.
What is the InChIKey of 3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is OQFRHSGIPALPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-9-13-6-5-10(15-9)8-14-19(17,18)12-4-2-3-11(16)7-12/h2-7,14,16H,8H2,1H3.
What are the key properties of 3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 81259080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).