4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid

C14H19NO4S — CID 705737

IUPAC4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO4S/c16-14(17)12-8-6-11(7-9-12)10-15-20(18,19)13-4-2-1-3-5-13/h1-5,11-12,15H,6-10H2,(H,16,17)
InChIKeyZWXLDFJXRQHOEM-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.86
Rot. Bonds5

About 4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid

4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid (PubChem CID 705737) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid
PubChem CID705737
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO4S/c16-14(17)12-8-6-11(7-9-12)10-15-20(18,19)13-4-2-1-3-5-13/h1-5,11-12,15H,6-10H2,(H,16,17)
InChIKeyZWXLDFJXRQHOEM-UHFFFAOYSA-N
XLogP1.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid (CID 705737) is 4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid?
The InChIKey is ZWXLDFJXRQHOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(17)12-8-6-11(7-9-12)10-15-20(18,19)13-4-2-1-3-5-13/h1-5,11-12,15H,6-10H2,(H,16,17).
What are the key properties of 4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid?
4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 705737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).