5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide

C15H15NO3S2 — CID 61454327

IUPAC5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2C#CCO)s1
InChIInChI=1S/C15H15NO3S2/c1-2-13-9-10-15(20-13)21(18,19)16-14-8-4-3-6-12(14)7-5-11-17/h3-4,6,8-10,16-17H,2,11H2,1H3
InChIKeyOEXFFHUZYPYOSW-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.46
Rot. Bonds4

About 5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide

5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide (PubChem CID 61454327) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide
PubChem CID61454327
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Name5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2C#CCO)s1
InChIInChI=1S/C15H15NO3S2/c1-2-13-9-10-15(20-13)21(18,19)16-14-8-4-3-6-12(14)7-5-11-17/h3-4,6,8-10,16-17H,2,11H2,1H3
InChIKeyOEXFFHUZYPYOSW-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 64894286
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzenesulfonamide
CID 60813404
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 81433105
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
CID 55232619
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide
CID 60814918
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311
3-[2-(2-methylpropylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816371
5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide
CID 107681550
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
5-ethyl-N-[4-(2-methoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987399

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide (CID 61454327) is 5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccccc2C#CCO)s1.
What is the InChIKey of 5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is OEXFFHUZYPYOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-2-13-9-10-15(20-13)21(18,19)16-14-8-4-3-6-12(14)7-5-11-17/h3-4,6,8-10,16-17H,2,11H2,1H3.
What are the key properties of 5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 321.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61454327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).