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

C13H16N2O4S — CID 78856021

IUPACN-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCC(C)O)cc1
InChIInChI=1S/C13H16N2O4S/c1-3-8-15-20(18,19)12-6-4-11(5-7-12)13(17)14-9-10(2)16/h1,4-7,10,15-16H,8-9H2,2H3,(H,14,17)
InChIKeyJAOXLJJLKDVEMF-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.29
Rot. Bonds6

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

N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 78856021) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID78856021
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCC(C)O)cc1
InChIInChI=1S/C13H16N2O4S/c1-3-8-15-20(18,19)12-6-4-11(5-7-12)13(17)14-9-10(2)16/h1,4-7,10,15-16H,8-9H2,2H3,(H,14,17)
InChIKeyJAOXLJJLKDVEMF-UHFFFAOYSA-N
XLogP-0.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 52510027
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792
N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 55837048
4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 46418934
N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33318428
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide (CID 78856021) is N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCC(C)O)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is JAOXLJJLKDVEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-3-8-15-20(18,19)12-6-4-11(5-7-12)13(17)14-9-10(2)16/h1,4-7,10,15-16H,8-9H2,2H3,(H,14,17).
What are the key properties of N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide?
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 296.35 g/mol, XLogP of -0.29, 6 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-ynylsulfamoyl)benzamide is sourced from PubChem (CID 78856021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).