5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide

C16H19ClFNO3S2 — CID 66929956

IUPAC5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@H](C)C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H19ClFNO3S2/c1-3-10(2)15(16(20)11-4-6-12(18)7-5-11)19-24(21,22)14-9-8-13(17)23-14/h4-10,15-16,19-20H,3H2,1-2H3/t10-,15?,16-/m0/s1
InChIKeyDKTLAPDQLXLIRG-OASJEPOTSA-N
MW391.92 g/mol
LogP3.97
Rot. Bonds7

About 5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide

5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide (PubChem CID 66929956) has the molecular formula C16H19ClFNO3S2 and a molecular weight of 391.92 g/mol. Its IUPAC name is 5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
PubChem CID66929956
Molecular FormulaC16H19ClFNO3S2
Molecular Weight391.92 g/mol
Exact Mass391.05
IUPAC Name5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@H](C)C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H19ClFNO3S2/c1-3-10(2)15(16(20)11-4-6-12(18)7-5-11)19-24(21,22)14-9-8-13(17)23-14/h4-10,15-16,19-20H,3H2,1-2H3/t10-,15?,16-/m0/s1
InChIKeyDKTLAPDQLXLIRG-OASJEPOTSA-N
XLogP3.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide (CID 66929956) is 5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide is CC[C@H](C)C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
The InChIKey is DKTLAPDQLXLIRG-OASJEPOTSA-N. The full InChI is InChI=1S/C16H19ClFNO3S2/c1-3-10(2)15(16(20)11-4-6-12(18)7-5-11)19-24(21,22)14-9-8-13(17)23-14/h4-10,15-16,19-20H,3H2,1-2H3/t10-,15?,16-/m0/s1.
What are the key properties of 5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide has a molecular weight of 391.92 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66929956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).