2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide

C12H16N2O4S — CID 146024512

IUPAC2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(C)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1
InChIInChI=1S/C12H16N2O4S/c1-4-7-14(2)19(16,17)9-5-6-11(18-3)10(8-9)12(13)15/h4-6,8H,1,7H2,2-3H3,(H2,13,15)
InChIKeyYSLSVIDCFSIJIC-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.60
Rot. Bonds6

About 2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide

2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 146024512) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID146024512
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(C)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1
InChIInChI=1S/C12H16N2O4S/c1-4-7-14(2)19(16,17)9-5-6-11(18-3)10(8-9)12(13)15/h4-6,8H,1,7H2,2-3H3,(H2,13,15)
InChIKeyYSLSVIDCFSIJIC-UHFFFAOYSA-N
XLogP0.60
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzamide;hydrochloride
CID 119967340
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
5-azidosulfonyl-2-methoxybenzamide
CID 43286593
2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide
CID 119976329
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116253
5-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43323996
2-[(3-carbamoyl-4-methylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 79264768
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of 2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide (CID 146024512) is 2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(C)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1.
What is the InChIKey of 2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is YSLSVIDCFSIJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-4-7-14(2)19(16,17)9-5-6-11(18-3)10(8-9)12(13)15/h4-6,8H,1,7H2,2-3H3,(H2,13,15).
What are the key properties of 2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide?
2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 284.34 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 146024512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).