N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide

C13H15NO3S2 — CID 110667301

IUPACN-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCc1cccc(O)c1)c1cccs1
InChIInChI=1S/C13H15NO3S2/c15-12-6-1-4-11(10-12)5-2-8-14-19(16,17)13-7-3-9-18-13/h1,3-4,6-7,9-10,14-15H,2,5,8H2
InChIKeyDLIFQMMAKZNXFF-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.36
Rot. Bonds6

About N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide

N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide (PubChem CID 110667301) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide
PubChem CID110667301
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCc1cccc(O)c1)c1cccs1
InChIInChI=1S/C13H15NO3S2/c15-12-6-1-4-11(10-12)5-2-8-14-19(16,17)13-7-3-9-18-13/h1,3-4,6-7,9-10,14-15H,2,5,8H2
InChIKeyDLIFQMMAKZNXFF-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide
CID 110667285
1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene
CID 110667288
N-pentylthiophene-2-sulfonamide
CID 5150701
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-(4-cyanobutyl)thiophene-2-sulfonamide
CID 63297087
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
N-dodecylthiophene-2-sulfonamide
CID 19681497
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide (CID 110667301) is N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide is O=S(=O)(NCCCc1cccc(O)c1)c1cccs1.
What is the InChIKey of N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide?
The InChIKey is DLIFQMMAKZNXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c15-12-6-1-4-11(10-12)5-2-8-14-19(16,17)13-7-3-9-18-13/h1,3-4,6-7,9-10,14-15H,2,5,8H2.
What are the key properties of N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide?
N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110667301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).