N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide

C22H26FNO3S — CID 167570004

IUPACN-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide
SMILESCc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)C2(C)CCCCC2)c1F
InChIInChI=1S/C22H26FNO3S/c1-16-13-18(17-9-5-3-6-10-17)14-19(21(16)23)20(25)15-24-28(26,27)22(2)11-7-4-8-12-22/h3,5-6,9-10,13-14,24H,4,7-8,11-12,15H2,1-2H3
InChIKeyDPMHIKFFBQCIBB-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.63
Rot. Bonds6

About N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide

N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide (PubChem CID 167570004) has the molecular formula C22H26FNO3S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide
PubChem CID167570004
Molecular FormulaC22H26FNO3S
Molecular Weight403.52 g/mol
Exact Mass403.16
IUPAC NameN-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide
SMILESCc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)C2(C)CCCCC2)c1F
InChIInChI=1S/C22H26FNO3S/c1-16-13-18(17-9-5-3-6-10-17)14-19(21(16)23)20(25)15-24-28(26,27)22(2)11-7-4-8-12-22/h3,5-6,9-10,13-14,24H,4,7-8,11-12,15H2,1-2H3
InChIKeyDPMHIKFFBQCIBB-UHFFFAOYSA-N
XLogP4.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide?
The IUPAC name of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide (CID 167570004) is N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide?
The canonical SMILES for N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide is Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)C2(C)CCCCC2)c1F.
What is the InChIKey of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide?
The InChIKey is DPMHIKFFBQCIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3S/c1-16-13-18(17-9-5-3-6-10-17)14-19(21(16)23)20(25)15-24-28(26,27)22(2)11-7-4-8-12-22/h3,5-6,9-10,13-14,24H,4,7-8,11-12,15H2,1-2H3.
What are the key properties of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide?
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide has a molecular weight of 403.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide is sourced from PubChem (CID 167570004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).