N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide

C14H19FN2O3S — CID 90165072

IUPACN-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2CCCCC2)cc1F
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17-13-8-7-11(9-12(13)15)16-14(18)10-5-3-2-4-6-10/h7-10,17H,2-6H2,1H3,(H,16,18)
InChIKeyBRLCOKJQABJMSJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.72
Rot. Bonds4

About N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide

N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide (PubChem CID 90165072) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide
PubChem CID90165072
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2CCCCC2)cc1F
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17-13-8-7-11(9-12(13)15)16-14(18)10-5-3-2-4-6-10/h7-10,17H,2-6H2,1H3,(H,16,18)
InChIKeyBRLCOKJQABJMSJ-UHFFFAOYSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
CID 113093375
3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66009570
(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119702945
N-(3-fluoro-4-hydroxyphenyl)cyclobutanecarboxamide
CID 64781438
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60509557
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
CID 31929476
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 47055132
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide (CID 90165072) is N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide is CS(=O)(=O)Nc1ccc(NC(=O)C2CCCCC2)cc1F.
What is the InChIKey of N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide?
The InChIKey is BRLCOKJQABJMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-21(19,20)17-13-8-7-11(9-12(13)15)16-14(18)10-5-3-2-4-6-10/h7-10,17H,2-6H2,1H3,(H,16,18).
What are the key properties of N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide?
N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 90165072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).