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

C17H19NO5S — CID 94064797

IUPACN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H]2COc3ccccc3C2)c1
InChIInChI=1S/C17H19NO5S/c1-21-14-7-8-16(22-2)17(10-14)24(19,20)18-13-9-12-5-3-4-6-15(12)23-11-13/h3-8,10,13,18H,9,11H2,1-2H3/t13-/m1/s1
InChIKeyNIGIKJAHVVCLKR-CYBMUJFWSA-N
MW349.41 g/mol
LogP1.99
Rot. Bonds5

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

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 94064797) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
PubChem CID94064797
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H]2COc3ccccc3C2)c1
InChIInChI=1S/C17H19NO5S/c1-21-14-7-8-16(22-2)17(10-14)24(19,20)18-13-9-12-5-3-4-6-15(12)23-11-13/h3-8,10,13,18H,9,11H2,1-2H3/t13-/m1/s1
InChIKeyNIGIKJAHVVCLKR-CYBMUJFWSA-N
XLogP1.99
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117179
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 95117126
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
2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 94064806
4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117153
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide
CID 3314811
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 51169117
3-chloro-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210040
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide
CID 95117197

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide (CID 94064797) is N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N[C@H]2COc3ccccc3C2)c1.
What is the InChIKey of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is NIGIKJAHVVCLKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-21-14-7-8-16(22-2)17(10-14)24(19,20)18-13-9-12-5-3-4-6-15(12)23-11-13/h3-8,10,13,18H,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide?
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 94064797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).