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

C19H18ClNO3S — CID 90497384

IUPAC1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C19H18ClNO3S/c20-16-8-3-5-14(11-16)13-25(23,24)21-12-19(22)18-10-4-7-15-6-1-2-9-17(15)18/h1-11,19,21-22H,12-13H2
InChIKeyRTJZDYBDZRPZIK-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.65
Rot. Bonds6

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

1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide (PubChem CID 90497384) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
PubChem CID90497384
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C19H18ClNO3S/c20-16-8-3-5-14(11-16)13-25(23,24)21-12-19(22)18-10-4-7-15-6-1-2-9-17(15)18/h1-11,19,21-22H,12-13H2
InChIKeyRTJZDYBDZRPZIK-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

N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
CID 95367211
N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497359
4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 166326529
5-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methoxybenzenesulfonamide
CID 95367250
2-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
CID 166326540
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
CID 166423420
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 90535158
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide (CID 90497384) is 1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCC(O)c1cccc2ccccc12.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide?
The InChIKey is RTJZDYBDZRPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c20-16-8-3-5-14(11-16)13-25(23,24)21-12-19(22)18-10-4-7-15-6-1-2-9-17(15)18/h1-11,19,21-22H,12-13H2.
What are the key properties of 1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide?
1-(3-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-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 90497384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).