N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide

C19H21NO3S — CID 91939423

IUPACN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C19H21NO3S/c21-19(12-10-17-8-4-5-9-18(17)14-19)15-20-24(22,23)13-11-16-6-2-1-3-7-16/h1-9,11,13,20-21H,10,12,14-15H2
InChIKeyGRVSSPKAKVUWGP-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.50
Rot. Bonds5

About N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide (PubChem CID 91939423) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide
PubChem CID91939423
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C19H21NO3S/c21-19(12-10-17-8-4-5-9-18(17)14-19)15-20-24(22,23)13-11-16-6-2-1-3-7-16/h1-9,11,13,20-21H,10,12,14-15H2
InChIKeyGRVSSPKAKVUWGP-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide
CID 97355232
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]pyridine-3-sulfonamide
CID 90581181
(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide
CID 95984892
1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide
CID 71803605
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71803616
(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide
CID 86263782
N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide
CID 91943052
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide
CID 91631208
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 90581195
2-(ethylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62775085
(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide
CID 121179119

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide?
The IUPAC name of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide (CID 91939423) is N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide?
The canonical SMILES for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide is O=S(=O)(C=Cc1ccccc1)NCC1(O)CCc2ccccc2C1.
What is the InChIKey of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide?
The InChIKey is GRVSSPKAKVUWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-19(12-10-17-8-4-5-9-18(17)14-19)15-20-24(22,23)13-11-16-6-2-1-3-7-16/h1-9,11,13,20-21H,10,12,14-15H2.
What are the key properties of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide?
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 91939423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).