3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide

C19H18ClNO3S — CID 95367230

IUPAC3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C19H18ClNO3S/c1-13-17(20)10-5-11-19(13)25(23,24)21-12-18(22)16-9-4-7-14-6-2-3-8-15(14)16/h2-11,18,21-22H,12H2,1H3/t18-/m0/s1
InChIKeyNHYXCWXYVDORPB-SFHVURJKSA-N
MW375.88 g/mol
LogP3.81
Rot. Bonds5

About 3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide

3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide (PubChem CID 95367230) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
PubChem CID95367230
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C19H18ClNO3S/c1-13-17(20)10-5-11-19(13)25(23,24)21-12-18(22)16-9-4-7-14-6-2-3-8-15(14)16/h2-11,18,21-22H,12H2,1H3/t18-/m0/s1
InChIKeyNHYXCWXYVDORPB-SFHVURJKSA-N
XLogP3.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-methylbenzenesulfonamide
CID 56765483
2-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764138
1-(2-chlorophenyl)-N-[2-hydroxy-2-(naphthalen-1-yl)ethyl]methanesulfonamide
CID 56764148
(S)-3-(m-chlorophenylsulfonylamino)-1-(1-naphthyl)-1-propanol
CID 96350725
(3-chloro-2-tolylsulfonyl)[(R)-2-methoxy-2-(o-tolyl)ethyl]amine
CID 97417798
4-fluoro-N-(1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl)benzenesulfonamide
CID 21078593
4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide
CID 68542474
4-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)-2-methylbenzenesulfonamide
CID 56764140
4-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)-3-methylbenzenesulfonamide
CID 56764141
3-chloro-4-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764149
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 3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide (CID 95367230) is 3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12.
What is the InChIKey of 3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide?
The InChIKey is NHYXCWXYVDORPB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-13-17(20)10-5-11-19(13)25(23,24)21-12-18(22)16-9-4-7-14-6-2-3-8-15(14)16/h2-11,18,21-22H,12H2,1H3/t18-/m0/s1.
What are the key properties of 3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide?
3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 95367230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).