5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide

C17H18ClNO5S — CID 95117179

IUPAC5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
SMILESCOc1ccc2c(c1)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)CO2
InChIInChI=1S/C17H18ClNO5S/c1-22-14-4-6-15-11(8-14)7-13(10-24-15)19-25(20,21)17-9-12(18)3-5-16(17)23-2/h3-6,8-9,13,19H,7,10H2,1-2H3/t13-/m0/s1
InChIKeyXHDFTIQYTFYEHE-ZDUSSCGKSA-N
MW383.85 g/mol
LogP2.64
Rot. Bonds5

About 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide

5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide (PubChem CID 95117179) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
PubChem CID95117179
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
SMILESCOc1ccc2c(c1)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)CO2
InChIInChI=1S/C17H18ClNO5S/c1-22-14-4-6-15-11(8-14)7-13(10-24-15)19-25(20,21)17-9-12(18)3-5-16(17)23-2/h3-6,8-9,13,19H,7,10H2,1-2H3/t13-/m0/s1
InChIKeyXHDFTIQYTFYEHE-ZDUSSCGKSA-N
XLogP2.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117153
3-chloro-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210040
N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
CID 53210049
4-tert-butyl-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210024
5-chloro-N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxybenzenesulfonamide
CID 95117130
N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide
CID 95117197
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 95117126
N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide
CID 95117137
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 7290362
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide (CID 95117179) is 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide is COc1ccc2c(c1)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)CO2.
What is the InChIKey of 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The InChIKey is XHDFTIQYTFYEHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-22-14-4-6-15-11(8-14)7-13(10-24-15)19-25(20,21)17-9-12(18)3-5-16(17)23-2/h3-6,8-9,13,19H,7,10H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide has a molecular weight of 383.85 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide is sourced from PubChem (CID 95117179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).