N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide

C27H20Cl2N4O4S — CID 19076589

IUPACN-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide
SMILESCNC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C27H20Cl2N4O4S/c1-30-27(21-6-2-3-7-23(21)29)22-15-18(28)8-13-24(22)33(26(27)35)38(36,37)20-11-9-19(10-12-20)32-25(34)17-5-4-14-31-16-17/h2-16,30H,1H3,(H,32,34)
InChIKeyKOOPFSXCYCMDIN-UHFFFAOYSA-N
MW567.45 g/mol
LogP4.84
Rot. Bonds6

About N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide

N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide (PubChem CID 19076589) has the molecular formula C27H20Cl2N4O4S and a molecular weight of 567.45 g/mol. Its IUPAC name is N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide
PubChem CID19076589
Molecular FormulaC27H20Cl2N4O4S
Molecular Weight567.45 g/mol
Exact Mass566.06
IUPAC NameN-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide
SMILESCNC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C27H20Cl2N4O4S/c1-30-27(21-6-2-3-7-23(21)29)22-15-18(28)8-13-24(22)33(26(27)35)38(36,37)20-11-9-19(10-12-20)32-25(34)17-5-4-14-31-16-17/h2-16,30H,1H3,(H,32,34)
InChIKeyKOOPFSXCYCMDIN-UHFFFAOYSA-N
XLogP4.84
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.45
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide (CID 19076589) is N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide is CNC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)c2ccc(Cl)cc21.
What is the InChIKey of N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide?
The InChIKey is KOOPFSXCYCMDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N4O4S/c1-30-27(21-6-2-3-7-23(21)29)22-15-18(28)8-13-24(22)33(26(27)35)38(36,37)20-11-9-19(10-12-20)32-25(34)17-5-4-14-31-16-17/h2-16,30H,1H3,(H,32,34).
What are the key properties of N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide?
N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide has a molecular weight of 567.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-chloro-3-(2-chlorophenyl)-3-(methylamino)-2-oxoindol-1-yl]sulfonylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 19076589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).