N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide

C16H25NO4S — CID 22476563

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
SMILESCOc1ccc(C2(O)CCCCC2NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H25NO4S/c1-12(2)22(19,20)17-15-6-4-5-11-16(15,18)13-7-9-14(21-3)10-8-13/h7-10,12,15,17-18H,4-6,11H2,1-3H3
InChIKeyXSFCTLOTBYBFTL-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.15
Rot. Bonds5

About N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide

N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide (PubChem CID 22476563) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
PubChem CID22476563
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
SMILESCOc1ccc(C2(O)CCCCC2NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H25NO4S/c1-12(2)22(19,20)17-15-6-4-5-11-16(15,18)13-7-9-14(21-3)10-8-13/h7-10,12,15,17-18H,4-6,11H2,1-3H3
InChIKeyXSFCTLOTBYBFTL-UHFFFAOYSA-N
XLogP2.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide (CID 22476563) is N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide is COc1ccc(C2(O)CCCCC2NS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide?
The InChIKey is XSFCTLOTBYBFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-12(2)22(19,20)17-15-6-4-5-11-16(15,18)13-7-9-14(21-3)10-8-13/h7-10,12,15,17-18H,4-6,11H2,1-3H3.
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide?
N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide has a molecular weight of 327.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 22476563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).