N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide

C21H16Cl2N2O4S — CID 2819648

IUPACN-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide
SMILESO=C(NC(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1)Nc1ccccc1Cl
InChIInChI=1S/C21H16Cl2N2O4S/c22-16-8-10-17(11-9-16)30(28,29)13-14-4-3-5-15(12-14)20(26)25-21(27)24-19-7-2-1-6-18(19)23/h1-12H,13H2,(H2,24,25,26,27)
InChIKeyKONAXUOWSAVWSQ-UHFFFAOYSA-N
MW463.34 g/mol
LogP4.93
Rot. Bonds5

About N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide

N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide (PubChem CID 2819648) has the molecular formula C21H16Cl2N2O4S and a molecular weight of 463.34 g/mol. Its IUPAC name is N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide
PubChem CID2819648
Molecular FormulaC21H16Cl2N2O4S
Molecular Weight463.34 g/mol
Exact Mass462.02
IUPAC NameN-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide
SMILESO=C(NC(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1)Nc1ccccc1Cl
InChIInChI=1S/C21H16Cl2N2O4S/c22-16-8-10-17(11-9-16)30(28,29)13-14-4-3-5-15(12-14)20(26)25-21(27)24-19-7-2-1-6-18(19)23/h1-12H,13H2,(H2,24,25,26,27)
InChIKeyKONAXUOWSAVWSQ-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 55770768
3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide
CID 2819006
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 55786930
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
3-(benzenesulfonylmethyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 60514504
N-[(2-chlorophenyl)carbamoyl]furan-2-carboxamide
CID 110866393
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
3-(benzenesulfonylmethyl)-N-but-3-ynylsulfonylbenzamide
CID 100741201
3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide
CID 86948895
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide (CID 2819648) is N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide is O=C(NC(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1)Nc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide?
The InChIKey is KONAXUOWSAVWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O4S/c22-16-8-10-17(11-9-16)30(28,29)13-14-4-3-5-15(12-14)20(26)25-21(27)24-19-7-2-1-6-18(19)23/h1-12H,13H2,(H2,24,25,26,27).
What are the key properties of N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide?
N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide has a molecular weight of 463.34 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)carbamoyl]-3-[(4-chlorophenyl)sulfonylmethyl]benzamide is sourced from PubChem (CID 2819648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).