3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide

C15H14Cl2N2O3S2 — CID 2819662

IUPAC3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)c1csc(C(=O)NN=Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O3S2/c1-9(2)24(21,22)12-8-23-14(13(12)17)15(20)19-18-7-10-5-3-4-6-11(10)16/h3-9H,1-2H3,(H,19,20)
InChIKeyKDSLHGSNKCHNNB-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.00
Rot. Bonds5

About 3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide

3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide (PubChem CID 2819662) has the molecular formula C15H14Cl2N2O3S2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide
PubChem CID2819662
Molecular FormulaC15H14Cl2N2O3S2
Molecular Weight405.33 g/mol
Exact Mass403.98
IUPAC Name3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)c1csc(C(=O)NN=Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O3S2/c1-9(2)24(21,22)12-8-23-14(13(12)17)15(20)19-18-7-10-5-3-4-6-11(10)16/h3-9H,1-2H3,(H,19,20)
InChIKeyKDSLHGSNKCHNNB-UHFFFAOYSA-N
XLogP4.00
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide (CID 2819662) is 3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide is CC(C)S(=O)(=O)c1csc(C(=O)NN=Cc2ccccc2Cl)c1Cl.
What is the InChIKey of 3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The InChIKey is KDSLHGSNKCHNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S2/c1-9(2)24(21,22)12-8-23-14(13(12)17)15(20)19-18-7-10-5-3-4-6-11(10)16/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide?
3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 2819662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).