4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide

C14H18N2O5S3 — CID 70412722

IUPAC4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide
SMILESCCNCCc1cc(S(N)(=O)=O)sc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O5S3/c1-2-16-8-7-10-9-13(24(15,20)21)22-14(10)23(18,19)12-5-3-11(17)4-6-12/h3-6,9,16-17H,2,7-8H2,1H3,(H2,15,20,21)
InChIKeyYYMGRCVBSPERKM-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.09
Rot. Bonds7

About 4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide

4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide (PubChem CID 70412722) has the molecular formula C14H18N2O5S3 and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide
PubChem CID70412722
Molecular FormulaC14H18N2O5S3
Molecular Weight390.51 g/mol
Exact Mass390.04
IUPAC Name4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide
SMILESCCNCCc1cc(S(N)(=O)=O)sc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O5S3/c1-2-16-8-7-10-9-13(24(15,20)21)22-14(10)23(18,19)12-5-3-11(17)4-6-12/h3-6,9,16-17H,2,7-8H2,1H3,(H2,15,20,21)
InChIKeyYYMGRCVBSPERKM-UHFFFAOYSA-N
XLogP1.09
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide?
The IUPAC name of 4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide (CID 70412722) is 4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide?
The canonical SMILES for 4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide is CCNCCc1cc(S(N)(=O)=O)sc1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide?
The InChIKey is YYMGRCVBSPERKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S3/c1-2-16-8-7-10-9-13(24(15,20)21)22-14(10)23(18,19)12-5-3-11(17)4-6-12/h3-6,9,16-17H,2,7-8H2,1H3,(H2,15,20,21).
What are the key properties of 4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide?
4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethyl]-5-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 70412722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).