N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide

C16H23F2N3O3S — CID 51130080

IUPACN-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide
SMILESCN(C1CCCCC1)S(=O)(=O)NCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N3O3S/c1-21(13-5-3-2-4-6-13)25(23,24)20-10-9-19-16(22)14-8-7-12(17)11-15(14)18/h7-8,11,13,20H,2-6,9-10H2,1H3,(H,19,22)
InChIKeyMIVWIHBDHLJMJX-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.79
Rot. Bonds7

About N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide

N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide (PubChem CID 51130080) has the molecular formula C16H23F2N3O3S and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide
PubChem CID51130080
Molecular FormulaC16H23F2N3O3S
Molecular Weight375.44 g/mol
Exact Mass375.14
IUPAC NameN-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide
SMILESCN(C1CCCCC1)S(=O)(=O)NCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N3O3S/c1-21(13-5-3-2-4-6-13)25(23,24)20-10-9-19-16(22)14-8-7-12(17)11-15(14)18/h7-8,11,13,20H,2-6,9-10H2,1H3,(H,19,22)
InChIKeyMIVWIHBDHLJMJX-UHFFFAOYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.79
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-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide
CID 51102133
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954
2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide
CID 32917114
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62322988
N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide
CID 125171691
(3-methoxycyclohexyl) 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 86920097
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide (CID 51130080) is N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide is CN(C1CCCCC1)S(=O)(=O)NCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide?
The InChIKey is MIVWIHBDHLJMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3S/c1-21(13-5-3-2-4-6-13)25(23,24)20-10-9-19-16(22)14-8-7-12(17)11-15(14)18/h7-8,11,13,20H,2-6,9-10H2,1H3,(H,19,22).
What are the key properties of N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide?
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide has a molecular weight of 375.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 51130080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).