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

C17H19NO5S — CID 71788940

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1(O)CCOc2ccccc21
InChIInChI=1S/C17H19NO5S/c1-22-15-8-4-5-9-16(15)24(20,21)18-12-17(19)10-11-23-14-7-3-2-6-13(14)17/h2-9,18-19H,10-12H2,1H3
InChIKeyASJLIICCGTWJFI-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.64
Rot. Bonds5

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

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 71788940) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
PubChem CID71788940
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1(O)CCOc2ccccc21
InChIInChI=1S/C17H19NO5S/c1-22-15-8-4-5-9-16(15)24(20,21)18-12-17(19)10-11-23-14-7-3-2-6-13(14)17/h2-9,18-19H,10-12H2,1H3
InChIKeyASJLIICCGTWJFI-UHFFFAOYSA-N
XLogP1.64
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 90535863
3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 90535862
N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 115753878
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90535867
1-(2,3-dimethoxyphenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535991
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-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 95984899
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
CID 95984859
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]prop-2-enamide
CID 90535769
(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide
CID 95984892

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide (CID 71788940) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCC1(O)CCOc2ccccc21.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is ASJLIICCGTWJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-15-8-4-5-9-16(15)24(20,21)18-12-17(19)10-11-23-14-7-3-2-6-13(14)17/h2-9,18-19H,10-12H2,1H3.
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 1.64, 5 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]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 71788940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).