4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide

C13H20N2O5S — CID 60655214

IUPAC4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(CCO)CCO)cc1
InChIInChI=1S/C13H20N2O5S/c1-14(2)21(19,20)12-5-3-11(4-6-12)13(18)15(7-9-16)8-10-17/h3-6,16-17H,7-10H2,1-2H3
InChIKeyNHRHKTHMMFEGSL-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.64
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide

4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 60655214) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID60655214
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(CCO)CCO)cc1
InChIInChI=1S/C13H20N2O5S/c1-14(2)21(19,20)12-5-3-11(4-6-12)13(18)15(7-9-16)8-10-17/h3-6,16-17H,7-10H2,1-2H3
InChIKeyNHRHKTHMMFEGSL-UHFFFAOYSA-N
XLogP-0.64
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78855791
N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 78856047
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043
N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227038
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842
4-acetamido-N,N-bis(2-hydroxyethyl)benzamide
CID 60653074
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943587
N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
CID 143150014
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide (CID 60655214) is 4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)N(CCO)CCO)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is NHRHKTHMMFEGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-14(2)21(19,20)12-5-3-11(4-6-12)13(18)15(7-9-16)8-10-17/h3-6,16-17H,7-10H2,1-2H3.
What are the key properties of 4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide?
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 316.38 g/mol, XLogP of -0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 60655214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).