N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide

C19H23NO3S — CID 131739518

IUPACN-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CCOC[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-2-24(21,22)20-19-12-13-23-14-18(19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-20H,2,12-14H2,1H3/t18-,19+/m0/s1
InChIKeyCRIVUJZGJKUCHW-RBUKOAKNSA-N
MW345.46 g/mol
LogP3.17
Rot. Bonds5

About N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide

N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide (PubChem CID 131739518) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide
PubChem CID131739518
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CCOC[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-2-24(21,22)20-19-12-13-23-14-18(19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-20H,2,12-14H2,1H3/t18-,19+/m0/s1
InChIKeyCRIVUJZGJKUCHW-RBUKOAKNSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide
CID 67310109
N-[(3S,4R)-3-[4-(4-cyanophenyl)phenyl]oxan-4-yl]propane-2-sulfonamide
CID 58350014
N-[3-[4-(2-cyanophenyl)phenyl]oxan-4-yl]propane-2-sulfonamide
CID 75092793
3-(4-phenylphenyl)oxane-4-carboxylic acid
CID 68541740
(3R,4R)-4-(4-phenylphenyl)oxane-3-carboxylic acid
CID 68541435
N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide
CID 59103244
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-[(3R,4R)-4-[4-(2-ethoxyphenyl)phenyl]oxan-3-yl]propane-2-sulfonamide
CID 45279394
N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide
CID 68550671
N-[(3R,4S)-3-[[4-(5-fluoropyrimidin-2-yl)phenoxy]methyl]oxan-4-yl]ethanesulfonamide
CID 70818604
N-ethyl-2-(4-phenylphenyl)cyclopentan-1-amine
CID 65454761
1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide
CID 143967417

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide?
The IUPAC name of N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide (CID 131739518) is N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide?
The canonical SMILES for N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1CCOC[C@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide?
The InChIKey is CRIVUJZGJKUCHW-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-24(21,22)20-19-12-13-23-14-18(19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-20H,2,12-14H2,1H3/t18-,19+/m0/s1.
What are the key properties of N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide?
N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(4-phenylphenyl)oxan-4-yl]ethanesulfonamide is sourced from PubChem (CID 131739518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).