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

C10H16ClNO3S2 — CID 44571578

IUPAC5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNO3S2/c1-3-7(2)8(6-13)12-17(14,15)10-5-4-9(11)16-10/h4-5,7-8,12-13H,3,6H2,1-2H3/t7-,8-/m1/s1
InChIKeyVAIPHPAXOJKZMG-HTQZYQBOSA-N
MW297.83 g/mol
LogP2.09
Rot. Bonds6

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

5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide (PubChem CID 44571578) has the molecular formula C10H16ClNO3S2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
PubChem CID44571578
Molecular FormulaC10H16ClNO3S2
Molecular Weight297.83 g/mol
Exact Mass297.03
IUPAC Name5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNO3S2/c1-3-7(2)8(6-13)12-17(14,15)10-5-4-9(11)16-10/h4-5,7-8,12-13H,3,6H2,1-2H3/t7-,8-/m1/s1
InChIKeyVAIPHPAXOJKZMG-HTQZYQBOSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.09
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,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide (CID 44571578) is 5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide is CC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
The InChIKey is VAIPHPAXOJKZMG-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16ClNO3S2/c1-3-7(2)8(6-13)12-17(14,15)10-5-4-9(11)16-10/h4-5,7-8,12-13H,3,6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of 5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide has a molecular weight of 297.83 g/mol, XLogP of 2.09, 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,3R)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 44571578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).