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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Related Compounds

N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide
CID 10292869
N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide;N-[(1S,2S)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
CID 159569007
N-[2-[4-[(2-cyanophenyl)methoxy]phenyl]-2-hydroxycyclohexyl]propane-2-sulfonamide
CID 10180996
N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide
CID 101492060
N-[(1S,2S)-2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclohexyl]propane-2-sulfonamide
CID 10225027
N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide
CID 10225880
7-(4-methoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331888
1-(4-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 55105917
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
CID 60586923
cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol
CID 57265905
N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide
CID 58361191
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407

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).