N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C17H21NO3S2 — CID 95983491

IUPACN-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESC[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
InChIInChI=1S/C17H21NO3S2/c1-17(19,16-7-4-10-22-16)12-18-23(20,21)15-9-8-13-5-2-3-6-14(13)11-15/h4,7-11,18-19H,2-3,5-6,12H2,1H3/t17-/m1/s1
InChIKeyHUDXHKDMYJYMHY-QGZVFWFLSA-N
MW351.49 g/mol
LogP2.81
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 95983491) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID95983491
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC NameN-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESC[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
InChIInChI=1S/C17H21NO3S2/c1-17(19,16-7-4-10-22-16)12-18-23(20,21)15-9-8-13-5-2-3-6-14(13)11-15/h4,7-11,18-19H,2-3,5-6,12H2,1H3/t17-/m1/s1
InChIKeyHUDXHKDMYJYMHY-QGZVFWFLSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
CID 95983496
4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide
CID 90500244
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65112897
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 97355211
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111442137
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
N-(4-bromo-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106145778
4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80522231
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121131811
N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193831
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 71782464

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 95983491) is N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is HUDXHKDMYJYMHY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-17(19,16-7-4-10-22-16)12-18-23(20,21)15-9-8-13-5-2-3-6-14(13)11-15/h4,7-11,18-19H,2-3,5-6,12H2,1H3/t17-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 351.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 95983491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).