(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide

C18H19NO4S — CID 95984892

IUPAC(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NC[C@]1(O)CCOc2ccccc21
InChIInChI=1S/C18H19NO4S/c20-18(11-12-23-17-9-5-4-8-16(17)18)14-19-24(21,22)13-10-15-6-2-1-3-7-15/h1-10,13,19-20H,11-12,14H2/b13-10+/t18-/m1/s1
InChIKeyKGKBINLZQXOZKD-LVMGUKCRSA-N
MW345.42 g/mol
LogP2.25
Rot. Bonds5

About (E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide

(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide (PubChem CID 95984892) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is (E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide
PubChem CID95984892
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NC[C@]1(O)CCOc2ccccc21
InChIInChI=1S/C18H19NO4S/c20-18(11-12-23-17-9-5-4-8-16(17)18)14-19-24(21,22)13-10-15-6-2-1-3-7-15/h1-10,13,19-20H,11-12,14H2/b13-10+/t18-/m1/s1
InChIKeyKGKBINLZQXOZKD-LVMGUKCRSA-N
XLogP2.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 71788940
(E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide
CID 99874025
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 91939423
N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide
CID 91943052
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 90535862
5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 90535863
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]prop-2-enamide
CID 90535769

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide (CID 95984892) is (E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NC[C@]1(O)CCOc2ccccc21.
What is the InChIKey of (E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide?
The InChIKey is KGKBINLZQXOZKD-LVMGUKCRSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-18(11-12-23-17-9-5-4-8-16(17)18)14-19-24(21,22)13-10-15-6-2-1-3-7-15/h1-10,13,19-20H,11-12,14H2/b13-10+/t18-/m1/s1.
What are the key properties of (E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide?
(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 95984892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).