N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide

C20H25NO3S — CID 67310109

IUPACN-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1COCC[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO3S/c1-15(2)25(22,23)21-20-14-24-13-12-19(20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19-21H,12-14H2,1-2H3/t19-,20+/m0/s1
InChIKeyYRTDLVQUWRIFAT-VQTJNVASSA-N
MW359.49 g/mol
LogP3.55
Rot. Bonds5

About N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide

N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide (PubChem CID 67310109) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide
PubChem CID67310109
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1COCC[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO3S/c1-15(2)25(22,23)21-20-14-24-13-12-19(20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19-21H,12-14H2,1-2H3/t19-,20+/m0/s1
InChIKeyYRTDLVQUWRIFAT-VQTJNVASSA-N
XLogP3.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide (CID 67310109) is N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@@H]1COCC[C@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide?
The InChIKey is YRTDLVQUWRIFAT-VQTJNVASSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-15(2)25(22,23)21-20-14-24-13-12-19(20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19-21H,12-14H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide?
N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide has a molecular weight of 359.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 67310109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).