N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide

C20H21NO3S — CID 90497359

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCC(O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H21NO3S/c1-15-6-4-7-16(12-15)14-25(23,24)21-13-20(22)19-11-5-9-17-8-2-3-10-18(17)19/h2-12,20-22H,13-14H2,1H3
InChIKeyMPBPLXPATHPNQD-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.30
Rot. Bonds6

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 90497359) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID90497359
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCC(O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H21NO3S/c1-15-6-4-7-16(12-15)14-25(23,24)21-13-20(22)19-11-5-9-17-8-2-3-10-18(17)19/h2-12,20-22H,13-14H2,1H3
InChIKeyMPBPLXPATHPNQD-UHFFFAOYSA-N
XLogP3.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
CID 95367211
1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
CID 90497384
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 90535158
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
2-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
CID 166326540
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 95367244
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
CID 95367217
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
1-(3-methylphenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide
CID 90578345
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide (CID 90497359) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NCC(O)c2cccc3ccccc23)c1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is MPBPLXPATHPNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-15-6-4-7-16(12-15)14-25(23,24)21-13-20(22)19-11-5-9-17-8-2-3-10-18(17)19/h2-12,20-22H,13-14H2,1H3.
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 90497359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).