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

C16H21ClFNO4S — CID 167671598

IUPACN-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
SMILESCOCc1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C16H21ClFNO4S/c1-23-10-11-7-13(16(18)14(17)8-11)15(20)9-19-24(21,22)12-5-3-2-4-6-12/h7-8,12,19H,2-6,9-10H2,1H3
InChIKeyWIZJXQPZUSFVQA-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.06
Rot. Bonds7

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

N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide (PubChem CID 167671598) has the molecular formula C16H21ClFNO4S and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
PubChem CID167671598
Molecular FormulaC16H21ClFNO4S
Molecular Weight377.87 g/mol
Exact Mass377.09
IUPAC NameN-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
SMILESCOCc1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C16H21ClFNO4S/c1-23-10-11-7-13(16(18)14(17)8-11)15(20)9-19-24(21,22)12-5-3-2-4-6-12/h7-8,12,19H,2-6,9-10H2,1H3
InChIKeyWIZJXQPZUSFVQA-UHFFFAOYSA-N
XLogP3.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide (CID 167671598) is N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide is COCc1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
The InChIKey is WIZJXQPZUSFVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO4S/c1-23-10-11-7-13(16(18)14(17)8-11)15(20)9-19-24(21,22)12-5-3-2-4-6-12/h7-8,12,19H,2-6,9-10H2,1H3.
What are the key properties of N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide has a molecular weight of 377.87 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide is sourced from PubChem (CID 167671598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).