4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide

C15H18N2O5S3 — CID 10046686

IUPAC4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(CN3CCOCC3)cc2)cs1
InChIInChI=1S/C15H18N2O5S3/c16-25(20,21)15-9-14(11-23-15)24(18,19)13-3-1-12(2-4-13)10-17-5-7-22-8-6-17/h1-4,9,11H,5-8,10H2,(H2,16,20,21)
InChIKeyBKXYWHMZKHKFOY-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.06
Rot. Bonds5

About 4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide

4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide (PubChem CID 10046686) has the molecular formula C15H18N2O5S3 and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide
PubChem CID10046686
Molecular FormulaC15H18N2O5S3
Molecular Weight402.52 g/mol
Exact Mass402.04
IUPAC Name4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(CN3CCOCC3)cc2)cs1
InChIInChI=1S/C15H18N2O5S3/c16-25(20,21)15-9-14(11-23-15)24(18,19)13-3-1-12(2-4-13)10-17-5-7-22-8-6-17/h1-4,9,11H,5-8,10H2,(H2,16,20,21)
InChIKeyBKXYWHMZKHKFOY-UHFFFAOYSA-N
XLogP1.06
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide?
The IUPAC name of 4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide (CID 10046686) is 4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide?
The canonical SMILES for 4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide is NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(CN3CCOCC3)cc2)cs1.
What is the InChIKey of 4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide?
The InChIKey is BKXYWHMZKHKFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S3/c16-25(20,21)15-9-14(11-23-15)24(18,19)13-3-1-12(2-4-13)10-17-5-7-22-8-6-17/h1-4,9,11H,5-8,10H2,(H2,16,20,21).
What are the key properties of 4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide?
4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 10046686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).