N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide

C19H21NO5S — CID 123233091

IUPACN-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc2c(c1)C(C)=C(C)C(O)O2
InChIInChI=1S/C19H21NO5S/c1-12-13(2)19(21)25-16-9-8-14(10-15(12)16)11-20-26(22,23)18-7-5-4-6-17(18)24-3/h4-10,19-21H,11H2,1-3H3
InChIKeyYZQIXUYIFRMUAL-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.68
Rot. Bonds5

About N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide

N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 123233091) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide
PubChem CID123233091
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC NameN-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc2c(c1)C(C)=C(C)C(O)O2
InChIInChI=1S/C19H21NO5S/c1-12-13(2)19(21)25-16-9-8-14(10-15(12)16)11-20-26(22,23)18-7-5-4-6-17(18)24-3/h4-10,19-21H,11H2,1-3H3
InChIKeyYZQIXUYIFRMUAL-UHFFFAOYSA-N
XLogP2.68
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide
CID 51169759
2-methoxy-N-[(3-nitrophenyl)methyl]benzenesulfonamide
CID 86854873
N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 9165579
N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 9214466
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64910766
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide (CID 123233091) is N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCc1ccc2c(c1)C(C)=C(C)C(O)O2.
What is the InChIKey of N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is YZQIXUYIFRMUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-12-13(2)19(21)25-16-9-8-14(10-15(12)16)11-20-26(22,23)18-7-5-4-6-17(18)24-3/h4-10,19-21H,11H2,1-3H3.
What are the key properties of N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide?
N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 123233091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).