N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C26H25ClN4O5S — CID 19456659

IUPACN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)o2)c1
InChIInChI=1S/C26H25ClN4O5S/c1-16(2)21-10-4-17(3)14-23(21)35-15-19-7-11-22(36-19)26(32)28-18-5-8-20(9-6-18)37(33,34)31-25-13-12-24(27)29-30-25/h4-14,16H,15H2,1-3H3,(H,28,32)(H,30,31)
InChIKeyOKLKHTCPNFMXFM-UHFFFAOYSA-N
MW541.03 g/mol
LogP5.79
Rot. Bonds9

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19456659) has the molecular formula C26H25ClN4O5S and a molecular weight of 541.03 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID19456659
Molecular FormulaC26H25ClN4O5S
Molecular Weight541.03 g/mol
Exact Mass540.12
IUPAC NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)o2)c1
InChIInChI=1S/C26H25ClN4O5S/c1-16(2)21-10-4-17(3)14-23(21)35-15-19-7-11-22(36-19)26(32)28-18-5-8-20(9-6-18)37(33,34)31-25-13-12-24(27)29-30-25/h4-14,16H,15H2,1-3H3,(H,28,32)(H,30,31)
InChIKeyOKLKHTCPNFMXFM-UHFFFAOYSA-N
XLogP5.79
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.03
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19456659) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)o2)c1.
What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is OKLKHTCPNFMXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O5S/c1-16(2)21-10-4-17(3)14-23(21)35-15-19-7-11-22(36-19)26(32)28-18-5-8-20(9-6-18)37(33,34)31-25-13-12-24(27)29-30-25/h4-14,16H,15H2,1-3H3,(H,28,32)(H,30,31).
What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 541.03 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19456659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).