N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide

C15H19ClFNO4S — CID 167555959

IUPACN-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
SMILESO=C(CNS(=O)(=O)C1CCCCC1)c1cc(CO)cc(Cl)c1F
InChIInChI=1S/C15H19ClFNO4S/c16-13-7-10(9-19)6-12(15(13)17)14(20)8-18-23(21,22)11-4-2-1-3-5-11/h6-7,11,18-19H,1-5,8-9H2
InChIKeyMZDKCBHIUBHZCM-UHFFFAOYSA-N
MW363.84 g/mol
LogP2.41
Rot. Bonds6

About N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide

N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide (PubChem CID 167555959) has the molecular formula C15H19ClFNO4S and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
PubChem CID167555959
Molecular FormulaC15H19ClFNO4S
Molecular Weight363.84 g/mol
Exact Mass363.07
IUPAC NameN-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
SMILESO=C(CNS(=O)(=O)C1CCCCC1)c1cc(CO)cc(Cl)c1F
InChIInChI=1S/C15H19ClFNO4S/c16-13-7-10(9-19)6-12(15(13)17)14(20)8-18-23(21,22)11-4-2-1-3-5-11/h6-7,11,18-19H,1-5,8-9H2
InChIKeyMZDKCBHIUBHZCM-UHFFFAOYSA-N
XLogP2.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide (CID 167555959) is N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide is O=C(CNS(=O)(=O)C1CCCCC1)c1cc(CO)cc(Cl)c1F.
What is the InChIKey of N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
The InChIKey is MZDKCBHIUBHZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO4S/c16-13-7-10(9-19)6-12(15(13)17)14(20)8-18-23(21,22)11-4-2-1-3-5-11/h6-7,11,18-19H,1-5,8-9H2.
What are the key properties of N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide has a molecular weight of 363.84 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide is sourced from PubChem (CID 167555959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).