4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide

C21H16Cl2N2O4S — CID 55466634

IUPAC4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C21H16Cl2N2O4S/c1-30(28,29)19-12-13(6-11-17(19)23)20(26)25-18-5-3-2-4-16(18)21(27)24-15-9-7-14(22)8-10-15/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyZTWGUKWZCHIEHJ-UHFFFAOYSA-N
MW463.34 g/mol
LogP4.90
Rot. Bonds5

About 4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide

4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide (PubChem CID 55466634) has the molecular formula C21H16Cl2N2O4S and a molecular weight of 463.34 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
PubChem CID55466634
Molecular FormulaC21H16Cl2N2O4S
Molecular Weight463.34 g/mol
Exact Mass462.02
IUPAC Name4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C21H16Cl2N2O4S/c1-30(28,29)19-12-13(6-11-17(19)23)20(26)25-18-5-3-2-4-16(18)21(27)24-15-9-7-14(22)8-10-15/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyZTWGUKWZCHIEHJ-UHFFFAOYSA-N
XLogP4.90
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide
CID 56516786
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 39862672
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009371
4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide
CID 51158895
N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26239627
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759479
3,5-dichloro-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17133465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide (CID 55466634) is 4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide?
The InChIKey is ZTWGUKWZCHIEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O4S/c1-30(28,29)19-12-13(6-11-17(19)23)20(26)25-18-5-3-2-4-16(18)21(27)24-15-9-7-14(22)8-10-15/h2-12H,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide?
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide has a molecular weight of 463.34 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 55466634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).