N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide

C18H25FN2O3S — CID 55604780

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H25FN2O3S/c1-13(2)21-25(23,24)15-8-9-17(19)16(12-15)18(22)20-11-10-14-6-4-3-5-7-14/h6,8-9,12-13,21H,3-5,7,10-11H2,1-2H3,(H,20,22)
InChIKeyVQBPXORUWQIDCK-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55604780) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID55604780
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H25FN2O3S/c1-13(2)21-25(23,24)15-8-9-17(19)16(12-15)18(22)20-11-10-14-6-4-3-5-7-14/h6,8-9,12-13,21H,3-5,7,10-11H2,1-2H3,(H,20,22)
InChIKeyVQBPXORUWQIDCK-UHFFFAOYSA-N
XLogP3.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3333418
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799
5-[[(2R)-butan-2-yl]sulfamoyl]-2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 99982228
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 40975736
2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 86935839
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25469750
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30500746
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide
CID 30125531
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24594322
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 71856999

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide (CID 55604780) is N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is VQBPXORUWQIDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c1-13(2)21-25(23,24)15-8-9-17(19)16(12-15)18(22)20-11-10-14-6-4-3-5-7-14/h6,8-9,12-13,21H,3-5,7,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 368.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55604780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).