5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide

C13H21N3O4S — CID 104593933

IUPAC5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCCNCC(C)O)cc1C(N)=O
InChIInChI=1S/C13H21N3O4S/c1-9-3-4-11(7-12(9)13(14)18)21(19,20)16-6-5-15-8-10(2)17/h3-4,7,10,15-17H,5-6,8H2,1-2H3,(H2,14,18)
InChIKeyJYIMAAOOULYQIG-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.66
Rot. Bonds8

About 5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide

5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide (PubChem CID 104593933) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
PubChem CID104593933
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCCNCC(C)O)cc1C(N)=O
InChIInChI=1S/C13H21N3O4S/c1-9-3-4-11(7-12(9)13(14)18)21(19,20)16-6-5-15-8-10(2)17/h3-4,7,10,15-17H,5-6,8H2,1-2H3,(H2,14,18)
InChIKeyJYIMAAOOULYQIG-UHFFFAOYSA-N
XLogP-0.66
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-4-methylbenzenesulfonamide
CID 104594019
3-[(3-carbamoyl-4-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62675880
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 103836901
5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120717421
2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
CID 43606850
3-bromo-N-[2-(2-hydroxypropylamino)ethyl]benzenesulfonamide
CID 113430481
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524
N-[2-(2-hydroxypropylamino)ethyl]-4-nitrobenzenesulfonamide
CID 104594085
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
CID 104594124
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 104858816
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide (CID 104593933) is 5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCCNCC(C)O)cc1C(N)=O.
What is the InChIKey of 5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide?
The InChIKey is JYIMAAOOULYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-3-4-11(7-12(9)13(14)18)21(19,20)16-6-5-15-8-10(2)17/h3-4,7,10,15-17H,5-6,8H2,1-2H3,(H2,14,18).
What are the key properties of 5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide?
5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide has a molecular weight of 315.40 g/mol, XLogP of -0.66, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 104593933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).