N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide

C17H18BrNO4S — CID 53210068

IUPACN-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2COc3ccc(Br)cc3C2)cc1
InChIInChI=1S/C17H18BrNO4S/c1-2-22-15-4-6-16(7-5-15)24(20,21)19-14-10-12-9-13(18)3-8-17(12)23-11-14/h3-9,14,19H,2,10-11H2,1H3
InChIKeyQUTSILIYNOQLEZ-UHFFFAOYSA-N
MW412.31 g/mol
LogP3.13
Rot. Bonds5

About N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide

N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide (PubChem CID 53210068) has the molecular formula C17H18BrNO4S and a molecular weight of 412.31 g/mol. Its IUPAC name is N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide
PubChem CID53210068
Molecular FormulaC17H18BrNO4S
Molecular Weight412.31 g/mol
Exact Mass411.01
IUPAC NameN-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2COc3ccc(Br)cc3C2)cc1
InChIInChI=1S/C17H18BrNO4S/c1-2-22-15-4-6-16(7-5-15)24(20,21)19-14-10-12-9-13(18)3-8-17(12)23-11-14/h3-9,14,19H,2,10-11H2,1H3
InChIKeyQUTSILIYNOQLEZ-UHFFFAOYSA-N
XLogP3.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-6-bromo-3,4-dihydro-2H-chromen-3-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 95117238
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 53210064
N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide
CID 95117137
4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117153
4-tert-butyl-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210024
N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
CID 53210049
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 46323038
3-chloro-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210040
1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580920
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552
5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117179

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide (CID 53210068) is N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2COc3ccc(Br)cc3C2)cc1.
What is the InChIKey of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is QUTSILIYNOQLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4S/c1-2-22-15-4-6-16(7-5-15)24(20,21)19-14-10-12-9-13(18)3-8-17(12)23-11-14/h3-9,14,19H,2,10-11H2,1H3.
What are the key properties of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide?
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 412.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 53210068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).