4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide

C14H16N2O5S3 — CID 2811173

IUPAC4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C14H16N2O5S3/c17-23(18,12-4-2-1-3-5-12)13-10-14(22-11-13)24(19,20)15-16-6-8-21-9-7-16/h1-5,10-11,15H,6-9H2
InChIKeyLSRRRRXTWVZIPP-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.11
Rot. Bonds5

About 4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide

4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide (PubChem CID 2811173) has the molecular formula C14H16N2O5S3 and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide
PubChem CID2811173
Molecular FormulaC14H16N2O5S3
Molecular Weight388.49 g/mol
Exact Mass388.02
IUPAC Name4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C14H16N2O5S3/c17-23(18,12-4-2-1-3-5-12)13-10-14(22-11-13)24(19,20)15-16-6-8-21-9-7-16/h1-5,10-11,15H,6-9H2
InChIKeyLSRRRRXTWVZIPP-UHFFFAOYSA-N
XLogP1.11
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide?
The IUPAC name of 4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide (CID 2811173) is 4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide is O=S(=O)(NN1CCOCC1)c1cc(S(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of 4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide?
The InChIKey is LSRRRRXTWVZIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S3/c17-23(18,12-4-2-1-3-5-12)13-10-14(22-11-13)24(19,20)15-16-6-8-21-9-7-16/h1-5,10-11,15H,6-9H2.
What are the key properties of 4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide?
4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-morpholin-4-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2811173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).