N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide

C19H23NO6S — CID 95117126

IUPACN-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCCOc1cccc2c1OC[C@@H](NS(=O)(=O)c1cc(OC)ccc1OC)C2
InChIInChI=1S/C19H23NO6S/c1-4-25-17-7-5-6-13-10-14(12-26-19(13)17)20-27(21,22)18-11-15(23-2)8-9-16(18)24-3/h5-9,11,14,20H,4,10,12H2,1-3H3/t14-/m0/s1
InChIKeySPWNPWVWONVCBJ-AWEZNQCLSA-N
MW393.46 g/mol
LogP2.38
Rot. Bonds7

About N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide

N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 95117126) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
PubChem CID95117126
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC NameN-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCCOc1cccc2c1OC[C@@H](NS(=O)(=O)c1cc(OC)ccc1OC)C2
InChIInChI=1S/C19H23NO6S/c1-4-25-17-7-5-6-13-10-14(12-26-19(13)17)20-27(21,22)18-11-15(23-2)8-9-16(18)24-3/h5-9,11,14,20H,4,10,12H2,1-3H3/t14-/m0/s1
InChIKeySPWNPWVWONVCBJ-AWEZNQCLSA-N
XLogP2.38
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxybenzenesulfonamide
CID 95117130
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 93045417
N-[4-[(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)sulfamoyl]phenyl]acetamide
CID 53210004
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-1-phenylmethanesulfonamide
CID 95117122
5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117179
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 16829587
3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209985
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
CID 45219852

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide (CID 95117126) is N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide is CCOc1cccc2c1OC[C@@H](NS(=O)(=O)c1cc(OC)ccc1OC)C2.
What is the InChIKey of N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is SPWNPWVWONVCBJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-4-25-17-7-5-6-13-10-14(12-26-19(13)17)20-27(21,22)18-11-15(23-2)8-9-16(18)24-3/h5-9,11,14,20H,4,10,12H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide?
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 393.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 95117126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).