N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide

C13H15NO3S2 — CID 90499598

IUPACN-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC(O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H15NO3S2/c15-12(11-5-2-1-3-6-11)8-9-14-19(16,17)13-7-4-10-18-13/h1-7,10,12,14-15H,8-9H2
InChIKeyGYVVKHLYXNROAG-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.15
Rot. Bonds6

About N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide

N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide (PubChem CID 90499598) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
PubChem CID90499598
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC(O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H15NO3S2/c15-12(11-5-2-1-3-6-11)8-9-14-19(16,17)13-7-4-10-18-13/h1-7,10,12,14-15H,8-9H2
InChIKeyGYVVKHLYXNROAG-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 97042808
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 71804346
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
N-(3-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 86589102
2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 62882270
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 66168152
N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide
CID 51307272
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide (CID 90499598) is N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCCC(O)c1ccccc1)c1cccs1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
The InChIKey is GYVVKHLYXNROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c15-12(11-5-2-1-3-6-11)8-9-14-19(16,17)13-7-4-10-18-13/h1-7,10,12,14-15H,8-9H2.
What are the key properties of N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 90499598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).