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

C13H21N3O4S — CID 106165205

IUPAC3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H21N3O4S/c1-3-13(2,6-7-17)16-21(19,20)11-5-4-9(12(15)18)8-10(11)14/h4-5,8,16-17H,3,6-7,14H2,1-2H3,(H2,15,18)
InChIKeyIQKMQJKOYHXVIY-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.20
Rot. Bonds7

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

3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide (PubChem CID 106165205) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide
PubChem CID106165205
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H21N3O4S/c1-3-13(2,6-7-17)16-21(19,20)11-5-4-9(12(15)18)8-10(11)14/h4-5,8,16-17H,3,6-7,14H2,1-2H3,(H2,15,18)
InChIKeyIQKMQJKOYHXVIY-UHFFFAOYSA-N
XLogP0.20
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.20
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-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-4-methylbenzoic acid
CID 106168429
4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165228
4-amino-2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165292
5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463
2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291
3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide
CID 106347953
3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165383
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
CID 81470893
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 106173679
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide (CID 106165205) is 3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide is CCC(C)(CCO)NS(=O)(=O)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide?
The InChIKey is IQKMQJKOYHXVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-13(2,6-7-17)16-21(19,20)11-5-4-9(12(15)18)8-10(11)14/h4-5,8,16-17H,3,6-7,14H2,1-2H3,(H2,15,18).
What are the key properties of 3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide?
3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide has a molecular weight of 315.39 g/mol, XLogP of 0.20, 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-3-methylpentan-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 106165205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).