N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide

C11H15F2N3O3S — CID 51102133

IUPACN-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide
SMILESCN(C)S(=O)(=O)NCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2N3O3S/c1-16(2)20(18,19)15-6-5-14-11(17)9-4-3-8(12)7-10(9)13/h3-4,7,15H,5-6H2,1-2H3,(H,14,17)
InChIKeyNQTCCRGTHMSHAC-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.09
Rot. Bonds6

About N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide

N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide (PubChem CID 51102133) has the molecular formula C11H15F2N3O3S and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide
PubChem CID51102133
Molecular FormulaC11H15F2N3O3S
Molecular Weight307.32 g/mol
Exact Mass307.08
IUPAC NameN-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide
SMILESCN(C)S(=O)(=O)NCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2N3O3S/c1-16(2)20(18,19)15-6-5-14-11(17)9-4-3-8(12)7-10(9)13/h3-4,7,15H,5-6H2,1-2H3,(H,14,17)
InChIKeyNQTCCRGTHMSHAC-UHFFFAOYSA-N
XLogP0.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide
CID 51130080
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene
CID 110789026
2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 60583733
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide
CID 46434276
N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
CID 110281414
2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55845901
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide (CID 51102133) is N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide is CN(C)S(=O)(=O)NCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide?
The InChIKey is NQTCCRGTHMSHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O3S/c1-16(2)20(18,19)15-6-5-14-11(17)9-4-3-8(12)7-10(9)13/h3-4,7,15H,5-6H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide?
N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide has a molecular weight of 307.32 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 51102133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).