N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

C23H19Cl2N5O5S — CID 25162003

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C23H19Cl2N5O5S/c1-30(12-20(31)28-21-16(24)3-2-4-17(21)25)22(32)13-5-7-14(8-6-13)29-36(34,35)15-9-10-18-19(11-15)27-23(33)26-18/h2-11,29H,12H2,1H3,(H,28,31)(H2,26,27,33)
InChIKeyDYZCZKSFHSSTFH-UHFFFAOYSA-N
MW548.41 g/mol
LogP3.67
Rot. Bonds7

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 25162003) has the molecular formula C23H19Cl2N5O5S and a molecular weight of 548.41 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID25162003
Molecular FormulaC23H19Cl2N5O5S
Molecular Weight548.41 g/mol
Exact Mass547.05
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C23H19Cl2N5O5S/c1-30(12-20(31)28-21-16(24)3-2-4-17(21)25)22(32)13-5-7-14(8-6-13)29-36(34,35)15-9-10-18-19(11-15)27-23(33)26-18/h2-11,29H,12H2,1H3,(H,28,31)(H2,26,27,33)
InChIKeyDYZCZKSFHSSTFH-UHFFFAOYSA-N
XLogP3.67
TPSA144.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.41
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 25162003) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is DYZCZKSFHSSTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O5S/c1-30(12-20(31)28-21-16(24)3-2-4-17(21)25)22(32)13-5-7-14(8-6-13)29-36(34,35)15-9-10-18-19(11-15)27-23(33)26-18/h2-11,29H,12H2,1H3,(H,28,31)(H2,26,27,33).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 548.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 25162003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).