5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide

C9H14ClNO4S2 — CID 54999136

IUPAC5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H14ClNO4S2/c1-11(5-7(12)6-15-2)17(13,14)9-4-3-8(10)16-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyZCLVJTOBNLRDGF-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.03
Rot. Bonds6

About 5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide

5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide (PubChem CID 54999136) has the molecular formula C9H14ClNO4S2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
PubChem CID54999136
Molecular FormulaC9H14ClNO4S2
Molecular Weight299.80 g/mol
Exact Mass299.01
IUPAC Name5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H14ClNO4S2/c1-11(5-7(12)6-15-2)17(13,14)9-4-3-8(10)16-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyZCLVJTOBNLRDGF-UHFFFAOYSA-N
XLogP1.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide (CID 54999136) is 5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide is COCC(O)CN(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is ZCLVJTOBNLRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO4S2/c1-11(5-7(12)6-15-2)17(13,14)9-4-3-8(10)16-9/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide?
5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 299.80 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 54999136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).