5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide

C14H16ClNO3S2 — CID 44571759

IUPAC5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide
SMILESC[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO3S2/c1-10(11-5-3-2-4-6-11)12(9-17)16-21(18,19)14-8-7-13(15)20-14/h2-8,10,12,16-17H,9H2,1H3/t10-,12+/m0/s1
InChIKeyWYIJYCXXSULKHO-CMPLNLGQSA-N
MW345.87 g/mol
LogP2.84
Rot. Bonds6

About 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide

5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide (PubChem CID 44571759) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide
PubChem CID44571759
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide
SMILESC[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO3S2/c1-10(11-5-3-2-4-6-11)12(9-17)16-21(18,19)14-8-7-13(15)20-14/h2-8,10,12,16-17H,9H2,1H3/t10-,12+/m0/s1
InChIKeyWYIJYCXXSULKHO-CMPLNLGQSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide (CID 44571759) is 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide is C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide?
The InChIKey is WYIJYCXXSULKHO-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-10(11-5-3-2-4-6-11)12(9-17)16-21(18,19)14-8-7-13(15)20-14/h2-8,10,12,16-17H,9H2,1H3/t10-,12+/m0/s1.
What are the key properties of 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide has a molecular weight of 345.87 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 44571759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).