N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide

C18H21NO4S — CID 95984899

IUPACN-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NC[C@@]2(O)CCOc3ccccc32)c1
InChIInChI=1S/C18H21NO4S/c1-14-5-4-6-15(11-14)12-24(21,22)19-13-18(20)9-10-23-17-8-3-2-7-16(17)18/h2-8,11,19-20H,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyOFASLJIEYCLVFH-SFHVURJKSA-N
MW347.44 g/mol
LogP2.08
Rot. Bonds5

About N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide

N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 95984899) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID95984899
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NC[C@@]2(O)CCOc3ccccc32)c1
InChIInChI=1S/C18H21NO4S/c1-14-5-4-6-15(11-14)12-24(21,22)19-13-18(20)9-10-23-17-8-3-2-7-16(17)18/h2-8,11,19-20H,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyOFASLJIEYCLVFH-SFHVURJKSA-N
XLogP2.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide
CID 95984892
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide
CID 90535803
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
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
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110729947
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea
CID 90535975
3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
CID 95984813
(E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide
CID 99874025

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide (CID 95984899) is N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NC[C@@]2(O)CCOc3ccccc32)c1.
What is the InChIKey of N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is OFASLJIEYCLVFH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-14-5-4-6-15(11-14)12-24(21,22)19-13-18(20)9-10-23-17-8-3-2-7-16(17)18/h2-8,11,19-20H,9-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide?
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 95984899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).