6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide

C18H16Cl2N2O4S — CID 2796317

IUPAC6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H16Cl2N2O4S/c19-14-1-4-16(5-2-14)27(24,25)22-8-7-21-18(23)13-9-12-10-15(20)3-6-17(12)26-11-13/h1-6,9-10,22H,7-8,11H2,(H,21,23)
InChIKeyXQOPCZZSPJZGMD-UHFFFAOYSA-N
MW427.31 g/mol
LogP2.86
Rot. Bonds6

About 6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide

6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide (PubChem CID 2796317) has the molecular formula C18H16Cl2N2O4S and a molecular weight of 427.31 g/mol. Its IUPAC name is 6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide
PubChem CID2796317
Molecular FormulaC18H16Cl2N2O4S
Molecular Weight427.31 g/mol
Exact Mass426.02
IUPAC Name6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H16Cl2N2O4S/c19-14-1-4-16(5-2-14)27(24,25)22-8-7-21-18(23)13-9-12-10-15(20)3-6-17(12)26-11-13/h1-6,9-10,22H,7-8,11H2,(H,21,23)
InChIKeyXQOPCZZSPJZGMD-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide (CID 2796317) is 6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide is O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide?
The InChIKey is XQOPCZZSPJZGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4S/c19-14-1-4-16(5-2-14)27(24,25)22-8-7-21-18(23)13-9-12-10-15(20)3-6-17(12)26-11-13/h1-6,9-10,22H,7-8,11H2,(H,21,23).
What are the key properties of 6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide?
6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide has a molecular weight of 427.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 2796317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).