3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide

C13H21N3O4S — CID 106347953

IUPAC3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H21N3O4S/c1-8(2)11(5-6-17)16-21(19,20)12-4-3-9(13(15)18)7-10(12)14/h3-4,7-8,11,16-17H,5-6,14H2,1-2H3,(H2,15,18)
InChIKeyGYROCAPPYIFSRY-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.05
Rot. Bonds7

About 3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide

3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide (PubChem CID 106347953) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide
PubChem CID106347953
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H21N3O4S/c1-8(2)11(5-6-17)16-21(19,20)12-4-3-9(13(15)18)7-10(12)14/h3-4,7-8,11,16-17H,5-6,14H2,1-2H3,(H2,15,18)
InChIKeyGYROCAPPYIFSRY-UHFFFAOYSA-N
XLogP0.05
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
CID 81470893
3-fluoro-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzoic acid
CID 106348582
4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 106347954
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
4-amino-2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzoic acid
CID 106348020
5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide
CID 106348013
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565
3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzamide
CID 81471363
3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide
CID 106165205
2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 71911251
methyl 3-amino-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoate
CID 93081321
4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 65192569

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide (CID 106347953) is 3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide is CC(C)C(CCO)NS(=O)(=O)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide?
The InChIKey is GYROCAPPYIFSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-8(2)11(5-6-17)16-21(19,20)12-4-3-9(13(15)18)7-10(12)14/h3-4,7-8,11,16-17H,5-6,14H2,1-2H3,(H2,15,18).
What are the key properties of 3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide?
3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide has a molecular weight of 315.40 g/mol, XLogP of 0.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 106347953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).