4-[ethyl(hydroxy)sulfamoyl]benzamide

C9H12N2O4S — CID 91012297

IUPAC4-[ethyl(hydroxy)sulfamoyl]benzamide
SMILESCCN(O)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C9H12N2O4S/c1-2-11(13)16(14,15)8-5-3-7(4-6-8)9(10)12/h3-6,13H,2H2,1H3,(H2,10,12)
InChIKeyHPCPBESTFXLDAI-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.19
Rot. Bonds4

About 4-[ethyl(hydroxy)sulfamoyl]benzamide

4-[ethyl(hydroxy)sulfamoyl]benzamide (PubChem CID 91012297) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-[ethyl(hydroxy)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[ethyl(hydroxy)sulfamoyl]benzamide
PubChem CID91012297
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name4-[ethyl(hydroxy)sulfamoyl]benzamide
SMILESCCN(O)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C9H12N2O4S/c1-2-11(13)16(14,15)8-5-3-7(4-6-8)9(10)12/h3-6,13H,2H2,1H3,(H2,10,12)
InChIKeyHPCPBESTFXLDAI-UHFFFAOYSA-N
XLogP0.19
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-carbamoylphenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62818725
3-[(4-carbamoylphenyl)sulfonyl-ethylamino]butanoic acid
CID 62826009
4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide
CID 51098722
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide
CID 79652029
4-(hydroxymethylsulfonyl)benzamide
CID 58552991
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119991586
4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide
CID 55903574
4-carbamoylbenzenesulfonyl fluoride
CID 54079384
methyl 3-[(4-carbamoylphenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61059514
4-(methylsulfamoyl)benzamide
CID 43241290

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(hydroxy)sulfamoyl]benzamide?
The IUPAC name of 4-[ethyl(hydroxy)sulfamoyl]benzamide (CID 91012297) is 4-[ethyl(hydroxy)sulfamoyl]benzamide.
What is the SMILES notation for 4-[ethyl(hydroxy)sulfamoyl]benzamide?
The canonical SMILES for 4-[ethyl(hydroxy)sulfamoyl]benzamide is CCN(O)S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[ethyl(hydroxy)sulfamoyl]benzamide?
The InChIKey is HPCPBESTFXLDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-2-11(13)16(14,15)8-5-3-7(4-6-8)9(10)12/h3-6,13H,2H2,1H3,(H2,10,12).
What are the key properties of 4-[ethyl(hydroxy)sulfamoyl]benzamide?
4-[ethyl(hydroxy)sulfamoyl]benzamide has a molecular weight of 244.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(hydroxy)sulfamoyl]benzamide is sourced from PubChem (CID 91012297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).