3-(diethylsulfamoyl)-N-methylbenzamide

C12H18N2O3S — CID 47099917

IUPAC3-(diethylsulfamoyl)-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC)c1
InChIInChI=1S/C12H18N2O3S/c1-4-14(5-2)18(16,17)11-8-6-7-10(9-11)12(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKeyAAFRTGJOPIGSHK-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.08
Rot. Bonds5

About 3-(diethylsulfamoyl)-N-methylbenzamide

3-(diethylsulfamoyl)-N-methylbenzamide (PubChem CID 47099917) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-methylbenzamide
PubChem CID47099917
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(diethylsulfamoyl)-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC)c1
InChIInChI=1S/C12H18N2O3S/c1-4-14(5-2)18(16,17)11-8-6-7-10(9-11)12(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKeyAAFRTGJOPIGSHK-UHFFFAOYSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2709423
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
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3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
CID 60579922
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 120505672
3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine
CID 161004191
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-methylbenzamide (CID 47099917) is 3-(diethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-methylbenzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NC)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-methylbenzamide?
The InChIKey is AAFRTGJOPIGSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-14(5-2)18(16,17)11-8-6-7-10(9-11)12(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 3-(diethylsulfamoyl)-N-methylbenzamide?
3-(diethylsulfamoyl)-N-methylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 47099917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).