[4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate

C18H21NO4S — CID 57145912

IUPAC[4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate
SMILESO=COC1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H21NO4S/c20-13-23-17-8-5-14(6-9-17)12-19-24(21,22)18-10-7-15-3-1-2-4-16(15)11-18/h1-4,7,10-11,13-14,17,19H,5-6,8-9,12H2
InChIKeyRPIIHCSONLIQQI-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.85
Rot. Bonds6

About [4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate

[4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate (PubChem CID 57145912) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is [4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate.

Molecular Properties

Compound Name[4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate
PubChem CID57145912
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name[4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate
SMILESO=COC1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H21NO4S/c20-13-23-17-8-5-14(6-9-17)12-19-24(21,22)18-10-7-15-3-1-2-4-16(15)11-18/h1-4,7,10-11,13-14,17,19H,5-6,8-9,12H2
InChIKeyRPIIHCSONLIQQI-UHFFFAOYSA-N
XLogP2.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate?
The IUPAC name of [4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate (CID 57145912) is [4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate.
What is the SMILES notation for [4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate?
The canonical SMILES for [4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate is O=COC1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of [4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate?
The InChIKey is RPIIHCSONLIQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c20-13-23-17-8-5-14(6-9-17)12-19-24(21,22)18-10-7-15-3-1-2-4-16(15)11-18/h1-4,7,10-11,13-14,17,19H,5-6,8-9,12H2.
What are the key properties of [4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate?
[4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate has a molecular weight of 347.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexyl] formate is sourced from PubChem (CID 57145912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).