1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid

C14H19NO4S — CID 90488029

IUPAC1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc(C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-20(18,19)15-12-7-5-11(6-8-12)14(13(16)17)9-3-2-4-10-14/h5-8,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeySLFJMFSOJJAPDB-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.34
Rot. Bonds4

About 1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid

1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 90488029) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid
PubChem CID90488029
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc(C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-20(18,19)15-12-7-5-11(6-8-12)14(13(16)17)9-3-2-4-10-14/h5-8,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeySLFJMFSOJJAPDB-UHFFFAOYSA-N
XLogP2.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid (CID 90488029) is 1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid is CS(=O)(=O)Nc1ccc(C2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is SLFJMFSOJJAPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-20(18,19)15-12-7-5-11(6-8-12)14(13(16)17)9-3-2-4-10-14/h5-8,15H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid?
1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 90488029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).