N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide

C19H29NO5S — CID 68544505

IUPACN-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COCC[C@@H]1c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C19H29NO5S/c1-14(2)26(21,22)20-18-13-23-12-10-17(18)15-6-8-16(9-7-15)25-19-5-3-4-11-24-19/h6-9,14,17-20H,3-5,10-13H2,1-2H3/t17-,18+,19?/m1/s1
InChIKeyKWBBCFFMBWZLHV-YTYFACEESA-N
MW383.51 g/mol
LogP2.79
Rot. Bonds6

About N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide

N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide (PubChem CID 68544505) has the molecular formula C19H29NO5S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide
PubChem CID68544505
Molecular FormulaC19H29NO5S
Molecular Weight383.51 g/mol
Exact Mass383.18
IUPAC NameN-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COCC[C@@H]1c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C19H29NO5S/c1-14(2)26(21,22)20-18-13-23-12-10-17(18)15-6-8-16(9-7-15)25-19-5-3-4-11-24-19/h6-9,14,17-20H,3-5,10-13H2,1-2H3/t17-,18+,19?/m1/s1
InChIKeyKWBBCFFMBWZLHV-YTYFACEESA-N
XLogP2.79
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide (CID 68544505) is N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1COCC[C@@H]1c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide?
The InChIKey is KWBBCFFMBWZLHV-YTYFACEESA-N. The full InChI is InChI=1S/C19H29NO5S/c1-14(2)26(21,22)20-18-13-23-12-10-17(18)15-6-8-16(9-7-15)25-19-5-3-4-11-24-19/h6-9,14,17-20H,3-5,10-13H2,1-2H3/t17-,18+,19?/m1/s1.
What are the key properties of N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide?
N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide has a molecular weight of 383.51 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 68544505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).