N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide

C21H20ClN3O5S — CID 42990181

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1
InChIInChI=1S/C21H20ClN3O5S/c22-16-4-1-2-5-17(16)24-31(27,28)20-14-15(23-21(26)19-6-3-11-30-19)7-8-18(20)25-9-12-29-13-10-25/h1-8,11,14,24H,9-10,12-13H2,(H,23,26)
InChIKeyRCHFHTMSZBILPQ-UHFFFAOYSA-N
MW461.93 g/mol
LogP3.82
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide (PubChem CID 42990181) has the molecular formula C21H20ClN3O5S and a molecular weight of 461.93 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide
PubChem CID42990181
Molecular FormulaC21H20ClN3O5S
Molecular Weight461.93 g/mol
Exact Mass461.08
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1
InChIInChI=1S/C21H20ClN3O5S/c22-16-4-1-2-5-17(16)24-31(27,28)20-14-15(23-21(26)19-6-3-11-30-19)7-8-18(20)25-9-12-29-13-10-25/h1-8,11,14,24H,9-10,12-13H2,(H,23,26)
InChIKeyRCHFHTMSZBILPQ-UHFFFAOYSA-N
XLogP3.82
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide (CID 42990181) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide?
The InChIKey is RCHFHTMSZBILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O5S/c22-16-4-1-2-5-17(16)24-31(27,28)20-14-15(23-21(26)19-6-3-11-30-19)7-8-18(20)25-9-12-29-13-10-25/h1-8,11,14,24H,9-10,12-13H2,(H,23,26).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide has a molecular weight of 461.93 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 42990181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).