N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide

C13H18N2O4S — CID 78856246

IUPACN-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)O)cc1
InChIInChI=1S/C13H18N2O4S/c1-3-8-15-20(18,19)12-6-4-11(5-7-12)13(17)14-9-10(2)16/h3-7,10,15-16H,1,8-9H2,2H3,(H,14,17)
InChIKeyBNNSPGZPAAPOED-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.26
Rot. Bonds7

About N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide

N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 78856246) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID78856246
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)O)cc1
InChIInChI=1S/C13H18N2O4S/c1-3-8-15-20(18,19)12-6-4-11(5-7-12)13(17)14-9-10(2)16/h3-7,10,15-16H,1,8-9H2,2H3,(H,14,17)
InChIKeyBNNSPGZPAAPOED-UHFFFAOYSA-N
XLogP0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 120653889
N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55721364
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate
CID 8954994
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26692241

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide (CID 78856246) is N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)O)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is BNNSPGZPAAPOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-3-8-15-20(18,19)12-6-4-11(5-7-12)13(17)14-9-10(2)16/h3-7,10,15-16H,1,8-9H2,2H3,(H,14,17).
What are the key properties of N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 298.36 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 78856246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).