N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide

C17H20N2O4S — CID 78857762

IUPACN-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCCCO
InChIInChI=1S/C17H20N2O4S/c1-19(14-8-3-2-4-9-14)24(22,23)16-11-6-5-10-15(16)17(21)18-12-7-13-20/h2-6,8-11,20H,7,12-13H2,1H3,(H,18,21)
InChIKeyRFXSJGPEMOHASN-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.62
Rot. Bonds7

About N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide

N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 78857762) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID78857762
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCCCO
InChIInChI=1S/C17H20N2O4S/c1-19(14-8-3-2-4-9-14)24(22,23)16-11-6-5-10-15(16)17(21)18-12-7-13-20/h2-6,8-11,20H,7,12-13H2,1H3,(H,18,21)
InChIKeyRFXSJGPEMOHASN-UHFFFAOYSA-N
XLogP1.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 119494860
N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide
CID 95374636
N-(4-fluorophenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78775226
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 42464208
N-(6-hydroxyhexyl)-2-(tribromomethylsulfonyl)benzamide;1-methyl-2-(tribromomethylsulfonyl)benzene
CID 91538496
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide (CID 78857762) is N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is RFXSJGPEMOHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-19(14-8-3-2-4-9-14)24(22,23)16-11-6-5-10-15(16)17(21)18-12-7-13-20/h2-6,8-11,20H,7,12-13H2,1H3,(H,18,21).
What are the key properties of N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 348.42 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 78857762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).