5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide

C11H18ClNO3S2 — CID 58591545

IUPAC5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1sc(Cl)c(C(C)C)c1O
InChIInChI=1S/C11H18ClNO3S2/c1-5-13(6-2)18(15,16)11-9(14)8(7(3)4)10(12)17-11/h7,14H,5-6H2,1-4H3
InChIKeyKPARFTDEJYMUGQ-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.26
Rot. Bonds5

About 5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide

5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide (PubChem CID 58591545) has the molecular formula C11H18ClNO3S2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide
PubChem CID58591545
Molecular FormulaC11H18ClNO3S2
Molecular Weight311.86 g/mol
Exact Mass311.04
IUPAC Name5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1sc(Cl)c(C(C)C)c1O
InChIInChI=1S/C11H18ClNO3S2/c1-5-13(6-2)18(15,16)11-9(14)8(7(3)4)10(12)17-11/h7,14H,5-6H2,1-4H3
InChIKeyKPARFTDEJYMUGQ-UHFFFAOYSA-N
XLogP3.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide (CID 58591545) is 5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1sc(Cl)c(C(C)C)c1O.
What is the InChIKey of 5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is KPARFTDEJYMUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO3S2/c1-5-13(6-2)18(15,16)11-9(14)8(7(3)4)10(12)17-11/h7,14H,5-6H2,1-4H3.
What are the key properties of 5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide?
5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 311.86 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 58591545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).