N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide

C18H23NO4S — CID 99996936

IUPACN-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCC[C@H](O)C1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C18H23NO4S/c20-17(15-9-12-23-13-10-15)8-11-19-24(21,22)18-7-3-5-14-4-1-2-6-16(14)18/h1-7,15,17,19-20H,8-13H2/t17-/m0/s1
InChIKeyPZEXWZWZPQKWKK-KRWDZBQOSA-N
MW349.45 g/mol
LogP2.30
Rot. Bonds6

About N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide

N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide (PubChem CID 99996936) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide
PubChem CID99996936
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCC[C@H](O)C1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C18H23NO4S/c20-17(15-9-12-23-13-10-15)8-11-19-24(21,22)18-7-3-5-14-4-1-2-6-16(14)18/h1-7,15,17,19-20H,8-13H2/t17-/m0/s1
InChIKeyPZEXWZWZPQKWKK-KRWDZBQOSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide (CID 99996936) is N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide is O=S(=O)(NCC[C@H](O)C1CCOCC1)c1cccc2ccccc12.
What is the InChIKey of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide?
The InChIKey is PZEXWZWZPQKWKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23NO4S/c20-17(15-9-12-23-13-10-15)8-11-19-24(21,22)18-7-3-5-14-4-1-2-6-16(14)18/h1-7,15,17,19-20H,8-13H2/t17-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide?
N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 99996936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).