N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide

C20H25NO5S — CID 90535867

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NCC2(O)CCOc3ccccc32)cc1
InChIInChI=1S/C20H25NO5S/c1-15(2)13-26-16-7-9-17(10-8-16)27(23,24)21-14-20(22)11-12-25-19-6-4-3-5-18(19)20/h3-10,15,21-22H,11-14H2,1-2H3
InChIKeyCGRUXSUTHJPGOT-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.67
Rot. Bonds7

About N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 90535867) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID90535867
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NCC2(O)CCOc3ccccc32)cc1
InChIInChI=1S/C20H25NO5S/c1-15(2)13-26-16-7-9-17(10-8-16)27(23,24)21-14-20(22)11-12-25-19-6-4-3-5-18(19)20/h3-10,15,21-22H,11-14H2,1-2H3
InChIKeyCGRUXSUTHJPGOT-UHFFFAOYSA-N
XLogP2.67
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 90535862
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 71788940
5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 90535863
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 95984899
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71806401
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97355226
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide
CID 90535803
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide
CID 95984892
3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
CID 155541343
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90580902
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide (CID 90535867) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide is CC(C)COc1ccc(S(=O)(=O)NCC2(O)CCOc3ccccc32)cc1.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is CGRUXSUTHJPGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-15(2)13-26-16-7-9-17(10-8-16)27(23,24)21-14-20(22)11-12-25-19-6-4-3-5-18(19)20/h3-10,15,21-22H,11-14H2,1-2H3.
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 90535867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).