N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide

C16H21NO4S — CID 164631423

IUPACN-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
SMILESCCN([C@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C16H21NO4S/c1-2-17(13-8-9-21-11-13)22(19,20)14-7-6-12-4-3-5-16(18)15(12)10-14/h6-7,10,13H,2-5,8-9,11H2,1H3/t13-/m0/s1
InChIKeyKHMXXYHESWXDAY-ZDUSSCGKSA-N
MW323.41 g/mol
LogP2.01
Rot. Bonds4

About N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide

N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide (PubChem CID 164631423) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
PubChem CID164631423
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC NameN-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
SMILESCCN([C@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C16H21NO4S/c1-2-17(13-8-9-21-11-13)22(19,20)14-7-6-12-4-3-5-16(18)15(12)10-14/h6-7,10,13H,2-5,8-9,11H2,1H3/t13-/m0/s1
InChIKeyKHMXXYHESWXDAY-ZDUSSCGKSA-N
XLogP2.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 53382890
CID 53382890
CID 53384069
CID 53384069
CID 137982583
CID 137982583
CID 164642944
CID 164642944
CID 2834892
CID 2834892
CID 3135972
CID 3135972
CID 3832983
CID 3832983
CID 4444402
CID 4444402
CID 43429157
CID 43429157
CID 39382906
CID 39382906
CID 46194620
CID 46194620
CID 46194900
CID 46194900

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?
The IUPAC name of N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide (CID 164631423) is N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide.
What is the SMILES notation for N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?
The canonical SMILES for N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide is CCN([C@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?
The InChIKey is KHMXXYHESWXDAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-2-17(13-8-9-21-11-13)22(19,20)14-7-6-12-4-3-5-16(18)15(12)10-14/h6-7,10,13H,2-5,8-9,11H2,1H3/t13-/m0/s1.
What are the key properties of N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?
N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide has a molecular weight of 323.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide is sourced from PubChem (CID 164631423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).