2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide

C10H15Cl2NO3S2 — CID 61247523

IUPAC2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H15Cl2NO3S2/c1-6(2)3-7(5-14)13-18(15,16)8-4-9(11)17-10(8)12/h4,6-7,13-14H,3,5H2,1-2H3
InChIKeyQBISDTSYTZBAPU-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.74
Rot. Bonds6

About 2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide

2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide (PubChem CID 61247523) has the molecular formula C10H15Cl2NO3S2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide
PubChem CID61247523
Molecular FormulaC10H15Cl2NO3S2
Molecular Weight332.27 g/mol
Exact Mass330.99
IUPAC Name2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H15Cl2NO3S2/c1-6(2)3-7(5-14)13-18(15,16)8-4-9(11)17-10(8)12/h4,6-7,13-14H,3,5H2,1-2H3
InChIKeyQBISDTSYTZBAPU-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide (CID 61247523) is 2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide is CC(C)CC(CO)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide?
The InChIKey is QBISDTSYTZBAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2NO3S2/c1-6(2)3-7(5-14)13-18(15,16)8-4-9(11)17-10(8)12/h4,6-7,13-14H,3,5H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide?
2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide has a molecular weight of 332.27 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 61247523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).