4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H15NO3S2 — CID 1256620

IUPAC4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C13H15NO3S2/c1-2-17-11-5-7-13(8-6-11)19(15,16)14-10-12-4-3-9-18-12/h3-9,14H,2,10H2,1H3
InChIKeyWPBHSCHTXOMUBG-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.63
Rot. Bonds6

About 4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 1256620) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID1256620
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC Name4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C13H15NO3S2/c1-2-17-11-5-7-13(8-6-11)19(15,16)14-10-12-4-3-9-18-12/h3-9,14H,2,10H2,1H3
InChIKeyWPBHSCHTXOMUBG-UHFFFAOYSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-2-(2-thienyl)pyrrolidine
CID 2805673
Thiophene-2-sulfonic acid 2-methoxy-benzylamide
CID 769085
2-Methoxy-5-methyl-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 6458154
4-(4-Methoxyphenyl)sulfonylthiophene-2-sulfonamide
CID 14642291
4-methoxy-N-{2-[(2-thienylmethyl)thio]ethyl}benzenesulfonamide
CID 2059861
4-methoxy-N-(2-thienylmethyl)benzenesulfonamide
CID 2169350
4-ethoxy-N-(2-phenylsulfanylethyl)benzenesulfonamide
CID 2197793
4-ethoxy-N-(2-(thiophen-2-yl)-2-tosylethyl)benzenesulfonamide
CID 16032980
[(2,5-Dimethyl-4-propoxyphenyl)sulfonyl](2-thienylmethyl)amine
CID 9267847
4-chloro-3-ethoxy-N-(2-thienylmethyl)benzenesulfonamide
CID 1259590
N-cyclopentyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 665629
US10807974, Example 64
CID 138618947

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 1256620) is 4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is WPBHSCHTXOMUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-2-17-11-5-7-13(8-6-11)19(15,16)14-10-12-4-3-9-18-12/h3-9,14H,2,10H2,1H3.
What are the key properties of 4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1256620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).