4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide

C18H22N2O3S — CID 97113623

IUPAC4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide
SMILESC[C@@H](NC[C@@H]1CCOc2ccccc21)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(14-6-8-16(9-7-14)24(19,21)22)20-12-15-10-11-23-18-5-3-2-4-17(15)18/h2-9,13,15,20H,10-12H2,1H3,(H2,19,21,22)/t13-,15+/m1/s1
InChIKeySXOLMUXPKFXFCP-HIFRSBDPSA-N
MW346.45 g/mol
LogP2.55
Rot. Bonds5

About 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide

4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide (PubChem CID 97113623) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide
PubChem CID97113623
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide
SMILESC[C@@H](NC[C@@H]1CCOc2ccccc21)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(14-6-8-16(9-7-14)24(19,21)22)20-12-15-10-11-23-18-5-3-2-4-17(15)18/h2-9,13,15,20H,10-12H2,1H3,(H2,19,21,22)/t13-,15+/m1/s1
InChIKeySXOLMUXPKFXFCP-HIFRSBDPSA-N
XLogP2.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
CID 115628852
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 115718431
2-(3,4-dihydro-2H-chromen-4-ylmethylsulfonyl)propan-1-amine
CID 113451579
1-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylpentan-3-amine
CID 114177536
5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine
CID 113451444
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
(1S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-(4-ethylsulfonylphenyl)ethanamine
CID 97327682
(1S)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-(4-ethylsulfonylphenyl)ethanamine
CID 97327684
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103275857
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 126766920

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide (CID 97113623) is 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide is C[C@@H](NC[C@@H]1CCOc2ccccc21)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide?
The InChIKey is SXOLMUXPKFXFCP-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(14-6-8-16(9-7-14)24(19,21)22)20-12-15-10-11-23-18-5-3-2-4-17(15)18/h2-9,13,15,20H,10-12H2,1H3,(H2,19,21,22)/t13-,15+/m1/s1.
What are the key properties of 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide?
4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97113623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).