[4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate

C14H18FNO4S — CID 87901132

IUPAC[4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate
SMILESO=COC1CCC(CNS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO4S/c15-13-3-1-2-4-14(13)21(18,19)16-9-11-5-7-12(8-6-11)20-10-17/h1-4,10-12,16H,5-9H2
InChIKeyALTYJMVHIIFHPS-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.84
Rot. Bonds6

About [4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate

[4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate (PubChem CID 87901132) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is [4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate.

Molecular Properties

Compound Name[4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate
PubChem CID87901132
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name[4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate
SMILESO=COC1CCC(CNS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO4S/c15-13-3-1-2-4-14(13)21(18,19)16-9-11-5-7-12(8-6-11)20-10-17/h1-4,10-12,16H,5-9H2
InChIKeyALTYJMVHIIFHPS-UHFFFAOYSA-N
XLogP1.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 115638756
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide
CID 115685195
2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126597
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
2-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912170
2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 114955897
N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
CID 62152226
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110875681
4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 132971400
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate?
The IUPAC name of [4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate (CID 87901132) is [4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate.
What is the SMILES notation for [4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate?
The canonical SMILES for [4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate is O=COC1CCC(CNS(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate?
The InChIKey is ALTYJMVHIIFHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c15-13-3-1-2-4-14(13)21(18,19)16-9-11-5-7-12(8-6-11)20-10-17/h1-4,10-12,16H,5-9H2.
What are the key properties of [4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate?
[4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate has a molecular weight of 315.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate is sourced from PubChem (CID 87901132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).