N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide

C16H24FNO3S — CID 10131522

IUPACN-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
SMILESCOc1ccc([C@]2(F)CCCC[C@@H]2NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H24FNO3S/c1-12(2)22(19,20)18-15-6-4-5-11-16(15,17)13-7-9-14(21-3)10-8-13/h7-10,12,15,18H,4-6,11H2,1-3H3/t15-,16+/m0/s1
InChIKeyQPHJFUKGJIHRFW-JKSUJKDBSA-N
MW329.44 g/mol
LogP3.13
Rot. Bonds5

About N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide

N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide (PubChem CID 10131522) has the molecular formula C16H24FNO3S and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
PubChem CID10131522
Molecular FormulaC16H24FNO3S
Molecular Weight329.44 g/mol
Exact Mass329.15
IUPAC NameN-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
SMILESCOc1ccc([C@]2(F)CCCC[C@@H]2NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H24FNO3S/c1-12(2)22(19,20)18-15-6-4-5-11-16(15,17)13-7-9-14(21-3)10-8-13/h7-10,12,15,18H,4-6,11H2,1-3H3/t15-,16+/m0/s1
InChIKeyQPHJFUKGJIHRFW-JKSUJKDBSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide (CID 10131522) is N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide is COc1ccc([C@]2(F)CCCC[C@@H]2NS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide?
The InChIKey is QPHJFUKGJIHRFW-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H24FNO3S/c1-12(2)22(19,20)18-15-6-4-5-11-16(15,17)13-7-9-14(21-3)10-8-13/h7-10,12,15,18H,4-6,11H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide?
N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide has a molecular weight of 329.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 10131522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).