3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide

C14H23N3O3S — CID 119984985

IUPAC3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-10(2)8-14(3,9-15)17-21(19,20)12-6-4-5-11(7-12)13(16)18/h4-7,10,17H,8-9,15H2,1-3H3,(H2,16,18)
InChIKeyUDZGYPXIXCQUQN-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.83
Rot. Bonds7

About 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide

3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide (PubChem CID 119984985) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
PubChem CID119984985
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-10(2)8-14(3,9-15)17-21(19,20)12-6-4-5-11(7-12)13(16)18/h4-7,10,17H,8-9,15H2,1-3H3,(H2,16,18)
InChIKeyUDZGYPXIXCQUQN-UHFFFAOYSA-N
XLogP0.83
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(1-amino-2,4-dimethylpentan-2-yl)benzene-1,3-disulfonamide;hydrochloride
CID 119985204
5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide
CID 119985275
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide
CID 119984979
dimethyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119985198
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
3-(1-hydroxypropan-2-ylsulfamoyl)benzamide
CID 174892675
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119597522
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119597463
3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 115310619
methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 119985415
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119599772

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide (CID 119984985) is 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide is CC(C)CC(C)(CN)NS(=O)(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide?
The InChIKey is UDZGYPXIXCQUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(2)8-14(3,9-15)17-21(19,20)12-6-4-5-11(7-12)13(16)18/h4-7,10,17H,8-9,15H2,1-3H3,(H2,16,18).
What are the key properties of 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide?
3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide has a molecular weight of 313.42 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 119984985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).