2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C13H19N3O4S — CID 107074192

IUPAC2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C13H19N3O4S/c1-21(19,20)16-6-4-9(5-7-16)15-13(18)11-8-10(17)2-3-12(11)14/h2-3,8-9,17H,4-7,14H2,1H3,(H,15,18)
InChIKeyOZSKSMHUYLNYCM-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.13
Rot. Bonds3

About 2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide

2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 107074192) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID107074192
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C13H19N3O4S/c1-21(19,20)16-6-4-9(5-7-16)15-13(18)11-8-10(17)2-3-12(11)14/h2-3,8-9,17H,4-7,14H2,1H3,(H,15,18)
InChIKeyOZSKSMHUYLNYCM-UHFFFAOYSA-N
XLogP0.13
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
2-amino-5-hydroxy-N-(3-methylcyclobutyl)benzamide
CID 107076024
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 61378831
4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43644159
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
2-amino-5-hydroxy-N-(2-methylcyclopentyl)benzamide
CID 107075272
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 107074192) is 2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2cc(O)ccc2N)CC1.
What is the InChIKey of 2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is OZSKSMHUYLNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-21(19,20)16-6-4-9(5-7-16)15-13(18)11-8-10(17)2-3-12(11)14/h2-3,8-9,17H,4-7,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 313.38 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 107074192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).