1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide

C19H18ClNO3S — CID 56764148

IUPAC1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C19H18ClNO3S/c20-18-11-4-2-7-15(18)13-25(23,24)21-12-19(22)17-10-5-8-14-6-1-3-9-16(14)17/h1-11,19,21-22H,12-13H2
InChIKeyPPQFXAAUNOIQQF-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.65
Rot. Bonds6

About 1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide (PubChem CID 56764148) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
PubChem CID56764148
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C19H18ClNO3S/c20-18-11-4-2-7-15(18)13-25(23,24)21-12-19(22)17-10-5-8-14-6-1-3-9-16(14)17/h1-11,19,21-22H,12-13H2
InChIKeyPPQFXAAUNOIQQF-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764138
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)-2-phenylethanesulfonamide
CID 56764139
N-(2-{[1,1'-biphenyl]-4-yl}-2-hydroxypropyl)-1-(2-chlorophenyl)methanesulfonamide
CID 71781841
N-(3-hydroxy-3-(naphthalen-1-yl)propyl)-1-phenylmethanesulfonamide
CID 71787945
(R)-2-(3-chloro-2-tolylsulfonylamino)-1-(1-naphthyl)-1-ethanol
CID 95367230
(S)-3-(m-chlorophenylsulfonylamino)-1-(1-naphthyl)-1-propanol
CID 96350725
3-chloro-4-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764149
1-(2-chlorophenyl)-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}methanesulfonamide
CID 56765484
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 71911295
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide
CID 75387192
4-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 90497352
3-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 90497353

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide (CID 56764148) is 1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCC(O)c1cccc2ccccc12.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide?
The InChIKey is PPQFXAAUNOIQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c20-18-11-4-2-7-15(18)13-25(23,24)21-12-19(22)17-10-5-8-14-6-1-3-9-16(14)17/h1-11,19,21-22H,12-13H2.
What are the key properties of 1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 56764148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).