5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide

C14H17NO4S2 — CID 106262606

IUPAC5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1ccc(CO)s1
InChIInChI=1S/C14H17NO4S2/c1-19-13-5-3-2-4-11(13)8-9-15-21(17,18)14-7-6-12(10-16)20-14/h2-7,15-16H,8-10H2,1H3
InChIKeyHGRSCMNQAGVHAI-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.77
Rot. Bonds7

About 5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide

5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 106262606) has the molecular formula C14H17NO4S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID106262606
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC Name5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1ccc(CO)s1
InChIInChI=1S/C14H17NO4S2/c1-19-13-5-3-2-4-11(13)8-9-15-21(17,18)14-7-6-12(10-16)20-14/h2-7,15-16H,8-10H2,1H3
InChIKeyHGRSCMNQAGVHAI-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 87031963
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 43332828
5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 103739636
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(2-methoxyphenyl)acetamide
CID 113060514
5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide
CID 107818588
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 28514163
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 143860168
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide (CID 106262606) is 5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide is COc1ccccc1CCNS(=O)(=O)c1ccc(CO)s1.
What is the InChIKey of 5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is HGRSCMNQAGVHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S2/c1-19-13-5-3-2-4-11(13)8-9-15-21(17,18)14-7-6-12(10-16)20-14/h2-7,15-16H,8-10H2,1H3.
What are the key properties of 5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106262606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).