3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide

C13H19N3O3S — CID 81471424

IUPAC3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(C(C)C)S(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H19N3O3S/c1-4-7-16(9(2)3)20(18,19)12-6-5-10(13(15)17)8-11(12)14/h4-6,8-9H,1,7,14H2,2-3H3,(H2,15,17)
InChIKeyVNGDSIVLACPUJV-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.95
Rot. Bonds6

About 3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide

3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 81471424) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID81471424
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(C(C)C)S(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H19N3O3S/c1-4-7-16(9(2)3)20(18,19)12-6-5-10(13(15)17)8-11(12)14/h4-6,8-9H,1,7,14H2,2-3H3,(H2,15,17)
InChIKeyVNGDSIVLACPUJV-UHFFFAOYSA-N
XLogP0.95
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116633
3-amino-4-(diethylsulfamoyl)benzamide
CID 81470581
3-amino-4-[ethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 81470891
2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61115685
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 106491536
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
CID 81470893
methyl 3-[(2-amino-4-carbamoylphenyl)sulfonyl-methylamino]propanoate
CID 81466282
3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 107478040
methyl 2-[(2-amino-4-carbamoylphenyl)sulfonyl-ethylamino]acetate
CID 81466179
3-amino-4,5-dimethyl-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116631
3-amino-4-[2-hydroxypropyl(methyl)sulfamoyl]benzoic acid
CID 81471129

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide (CID 81471424) is 3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(C(C)C)S(=O)(=O)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is VNGDSIVLACPUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-7-16(9(2)3)20(18,19)12-6-5-10(13(15)17)8-11(12)14/h4-6,8-9H,1,7,14H2,2-3H3,(H2,15,17).
What are the key properties of 3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide?
3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 297.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 81471424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).