N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C19H20F3NO3S — CID 56765486

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H20F3NO3S/c20-19(21,22)16-8-5-14(6-9-16)18(24)12-23-27(25,26)17-10-7-13-3-1-2-4-15(13)11-17/h5-11,18,23-24H,1-4,12H2
InChIKeySBVVOTNFNSLQQH-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.60
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 56765486) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID56765486
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H20F3NO3S/c20-19(21,22)16-8-5-14(6-9-16)18(24)12-23-27(25,26)17-10-7-13-3-1-2-4-15(13)11-17/h5-11,18,23-24H,1-4,12H2
InChIKeySBVVOTNFNSLQQH-UHFFFAOYSA-N
XLogP3.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71803721
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90534852
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
3-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 90534836
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90581968
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
CID 90534845
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 24544389
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 82123649
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
CID 62676412

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 56765486) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is SBVVOTNFNSLQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c20-19(21,22)16-8-5-14(6-9-16)18(24)12-23-27(25,26)17-10-7-13-3-1-2-4-15(13)11-17/h5-11,18,23-24H,1-4,12H2.
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 399.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 56765486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).