N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide

C14H16N2O5S3 — CID 7939270

IUPACN-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1
InChIInChI=1S/C14H16N2O5S3/c17-23(18,14-5-2-10-22-14)15-12-3-1-4-13(11-12)24(19,20)16-6-8-21-9-7-16/h1-5,10-11,15H,6-9H2
InChIKeyQQUWUYOUKZBGEB-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.57
Rot. Bonds5

About N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide

N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide (PubChem CID 7939270) has the molecular formula C14H16N2O5S3 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide
PubChem CID7939270
Molecular FormulaC14H16N2O5S3
Molecular Weight388.49 g/mol
Exact Mass388.02
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1
InChIInChI=1S/C14H16N2O5S3/c17-23(18,14-5-2-10-22-14)15-12-3-1-4-13(11-12)24(19,20)16-6-8-21-9-7-16/h1-5,10-11,15H,6-9H2
InChIKeyQQUWUYOUKZBGEB-UHFFFAOYSA-N
XLogP1.57
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide (CID 7939270) is N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide?
The InChIKey is QQUWUYOUKZBGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S3/c17-23(18,14-5-2-10-22-14)15-12-3-1-4-13(11-12)24(19,20)16-6-8-21-9-7-16/h1-5,10-11,15H,6-9H2.
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide?
N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 7939270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).