N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide

C19H23NO4S — CID 95117137

IUPACN-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N[C@H]2COc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C19H23NO4S/c1-3-4-14-5-8-18(9-6-14)25(21,22)20-16-11-15-12-17(23-2)7-10-19(15)24-13-16/h5-10,12,16,20H,3-4,11,13H2,1-2H3/t16-/m1/s1
InChIKeyCYKQPDRNDATETB-MRXNPFEDSA-N
MW361.46 g/mol
LogP2.93
Rot. Bonds6

About N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide

N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide (PubChem CID 95117137) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide
PubChem CID95117137
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N[C@H]2COc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C19H23NO4S/c1-3-4-14-5-8-18(9-6-14)25(21,22)20-16-11-15-12-17(23-2)7-10-19(15)24-13-16/h5-10,12,16,20H,3-4,11,13H2,1-2H3/t16-/m1/s1
InChIKeyCYKQPDRNDATETB-MRXNPFEDSA-N
XLogP2.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-chloro-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210040
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide
CID 53210068
N-[(3S)-6-bromo-3,4-dihydro-2H-chromen-3-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 95117238
5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117179
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide
CID 95117197
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713597
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 53210064

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide (CID 95117137) is N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N[C@H]2COc3ccc(OC)cc3C2)cc1.
What is the InChIKey of N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide?
The InChIKey is CYKQPDRNDATETB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-3-4-14-5-8-18(9-6-14)25(21,22)20-16-11-15-12-17(23-2)7-10-19(15)24-13-16/h5-10,12,16,20H,3-4,11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide?
N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 95117137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).