N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide

C15H17NO3S2 — CID 110663311

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCC(O)c1cccs1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H17NO3S2/c17-14(15-5-2-8-20-15)10-16-21(18,19)13-7-6-11-3-1-4-12(11)9-13/h2,5-9,14,16-17H,1,3-4,10H2
InChIKeyVCUPKGIMPJHEOA-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.25
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110663311) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110663311
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCC(O)c1cccs1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H17NO3S2/c17-14(15-5-2-8-20-15)10-16-21(18,19)13-7-6-11-3-1-4-12(11)9-13/h2,5-9,14,16-17H,1,3-4,10H2
InChIKeyVCUPKGIMPJHEOA-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193831
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001337
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
CID 90500313
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51662774
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514669
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 110663311) is N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(NCC(O)c1cccs1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is VCUPKGIMPJHEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-14(15-5-2-8-20-15)10-16-21(18,19)13-7-6-11-3-1-4-12(11)9-13/h2,5-9,14,16-17H,1,3-4,10H2.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110663311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).