3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide

C13H21N3O3S — CID 81470893

IUPAC3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
SMILESCC(C)CC(C)NS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H21N3O3S/c1-8(2)6-9(3)16-20(18,19)12-5-4-10(13(15)17)7-11(12)14/h4-5,7-9,16H,6,14H2,1-3H3,(H2,15,17)
InChIKeyANAGRPKNNBKRHB-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.08
Rot. Bonds6

About 3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide

3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide (PubChem CID 81470893) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
PubChem CID81470893
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
SMILESCC(C)CC(C)NS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H21N3O3S/c1-8(2)6-9(3)16-20(18,19)12-5-4-10(13(15)17)7-11(12)14/h4-5,7-9,16H,6,14H2,1-3H3,(H2,15,17)
InChIKeyANAGRPKNNBKRHB-UHFFFAOYSA-N
XLogP1.08
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide
CID 106347953
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
methyl 3-amino-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoate
CID 93081321
3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzamide
CID 81471363
3-amino-4-(1-ethoxypropan-2-ylsulfamoyl)benzoic acid
CID 81471128
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
CID 81471489
3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 113485239
methyl 4-amino-2-(4-methylpentan-2-ylsulfamoyl)benzoate
CID 102930924
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide
CID 106165205

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide?
The IUPAC name of 3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide (CID 81470893) is 3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide is CC(C)CC(C)NS(=O)(=O)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide?
The InChIKey is ANAGRPKNNBKRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-8(2)6-9(3)16-20(18,19)12-5-4-10(13(15)17)7-11(12)14/h4-5,7-9,16H,6,14H2,1-3H3,(H2,15,17).
What are the key properties of 3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide?
3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide has a molecular weight of 299.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 81470893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).