N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide

C14H19FN2O3S — CID 106828727

IUPACN-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cc(S(N)(=O)=O)ccc2F)CCCCC1
InChIInChI=1S/C14H19FN2O3S/c1-14(7-3-2-4-8-14)13(18)17-12-9-10(21(16,19)20)5-6-11(12)15/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyFMDYHEXMXVQQFQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.38
Rot. Bonds3

About N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide

N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106828727) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106828727
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cc(S(N)(=O)=O)ccc2F)CCCCC1
InChIInChI=1S/C14H19FN2O3S/c1-14(7-3-2-4-8-14)13(18)17-12-9-10(21(16,19)20)5-6-11(12)15/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyFMDYHEXMXVQQFQ-UHFFFAOYSA-N
XLogP2.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130876
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide
CID 78914140
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700
N-(2-fluoro-5-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476009
4-fluoro-3-[(1-methylcyclobutanecarbonyl)amino]benzoic acid
CID 120530218
1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 115452495
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide
CID 115447750
1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea
CID 116658850

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide (CID 106828727) is N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2cc(S(N)(=O)=O)ccc2F)CCCCC1.
What is the InChIKey of N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is FMDYHEXMXVQQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-14(7-3-2-4-8-14)13(18)17-12-9-10(21(16,19)20)5-6-11(12)15/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide?
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106828727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).