5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide

C11H12ClNO3S3 — CID 71782471

IUPAC5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(Cl)s1)c1cccs1
InChIInChI=1S/C11H12ClNO3S3/c1-11(14,8-3-2-6-17-8)7-13-19(15,16)10-5-4-9(12)18-10/h2-6,13-14H,7H2,1H3
InChIKeyQPDMZELGIZGRLP-UHFFFAOYSA-N
MW337.88 g/mol
LogP2.65
Rot. Bonds5

About 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide

5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide (PubChem CID 71782471) has the molecular formula C11H12ClNO3S3 and a molecular weight of 337.88 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide
PubChem CID71782471
Molecular FormulaC11H12ClNO3S3
Molecular Weight337.88 g/mol
Exact Mass336.97
IUPAC Name5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(Cl)s1)c1cccs1
InChIInChI=1S/C11H12ClNO3S3/c1-11(14,8-3-2-6-17-8)7-13-19(15,16)10-5-4-9(12)18-10/h2-6,13-14H,7H2,1H3
InChIKeyQPDMZELGIZGRLP-UHFFFAOYSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide (CID 71782471) is 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide is CC(O)(CNS(=O)(=O)c1ccc(Cl)s1)c1cccs1.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is QPDMZELGIZGRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S3/c1-11(14,8-3-2-6-17-8)7-13-19(15,16)10-5-4-9(12)18-10/h2-6,13-14H,7H2,1H3.
What are the key properties of 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 337.88 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 71782471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).