2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide

C30H24ClN3O5S — CID 4053919

IUPAC2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C30H24ClN3O5S/c1-38-28-14-8-7-13-25(28)34-40(36,37)19-15-16-29(39-2)27(17-19)33-30(35)22-18-26(21-10-3-5-11-23(21)31)32-24-12-6-4-9-20(22)24/h3-18,34H,1-2H3,(H,33,35)
InChIKeyIYSYPPDIBWYUFT-UHFFFAOYSA-N
MW574.06 g/mol
LogP6.63
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide

2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide (PubChem CID 4053919) has the molecular formula C30H24ClN3O5S and a molecular weight of 574.06 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide
PubChem CID4053919
Molecular FormulaC30H24ClN3O5S
Molecular Weight574.06 g/mol
Exact Mass573.11
IUPAC Name2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C30H24ClN3O5S/c1-38-28-14-8-7-13-25(28)34-40(36,37)19-15-16-29(39-2)27(17-19)33-30(35)22-18-26(21-10-3-5-11-23(21)31)32-24-12-6-4-9-20(22)24/h3-18,34H,1-2H3,(H,33,35)
InChIKeyIYSYPPDIBWYUFT-UHFFFAOYSA-N
XLogP6.63
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.06
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide (CID 4053919) is 2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide is COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide?
The InChIKey is IYSYPPDIBWYUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O5S/c1-38-28-14-8-7-13-25(28)34-40(36,37)19-15-16-29(39-2)27(17-19)33-30(35)22-18-26(21-10-3-5-11-23(21)31)32-24-12-6-4-9-20(22)24/h3-18,34H,1-2H3,(H,33,35).
What are the key properties of 2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide has a molecular weight of 574.06 g/mol, XLogP of 6.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 4053919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).