3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide

C8H10ClNO3S2 — CID 2819858

IUPAC3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)c1csc(C(N)=O)c1Cl
InChIInChI=1S/C8H10ClNO3S2/c1-4(2)15(12,13)5-3-14-7(6(5)9)8(10)11/h3-4H,1-2H3,(H2,10,11)
InChIKeyZZONNJJZOMQJBJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.68
Rot. Bonds3

About 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide

3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide (PubChem CID 2819858) has the molecular formula C8H10ClNO3S2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide
PubChem CID2819858
Molecular FormulaC8H10ClNO3S2
Molecular Weight267.76 g/mol
Exact Mass266.98
IUPAC Name3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)c1csc(C(N)=O)c1Cl
InChIInChI=1S/C8H10ClNO3S2/c1-4(2)15(12,13)5-3-14-7(6(5)9)8(10)11/h3-4H,1-2H3,(H2,10,11)
InChIKeyZZONNJJZOMQJBJ-UHFFFAOYSA-N
XLogP1.68
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide (CID 2819858) is 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide is CC(C)S(=O)(=O)c1csc(C(N)=O)c1Cl.
What is the InChIKey of 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The InChIKey is ZZONNJJZOMQJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S2/c1-4(2)15(12,13)5-3-14-7(6(5)9)8(10)11/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide?
3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-propan-2-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 2819858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).