2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide

C22H20ClN3O4S — CID 4282382

IUPAC2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C22H20ClN3O4S/c23-19-12-5-4-11-18(19)22(28)26-20(15-7-2-1-3-8-15)14-21(27)25-16-9-6-10-17(13-16)31(24,29)30/h1-13,20H,14H2,(H,25,27)(H,26,28)(H2,24,29,30)
InChIKeyLXLZJRSMFURRKW-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.49
Rot. Bonds7

About 2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide

2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide (PubChem CID 4282382) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide
PubChem CID4282382
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C22H20ClN3O4S/c23-19-12-5-4-11-18(19)22(28)26-20(15-7-2-1-3-8-15)14-21(27)25-16-9-6-10-17(13-16)31(24,29)30/h1-13,20H,14H2,(H,25,27)(H,26,28)(H2,24,29,30)
InChIKeyLXLZJRSMFURRKW-UHFFFAOYSA-N
XLogP3.49
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide (CID 4282382) is 2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide is NS(=O)(=O)c1cccc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c1.
What is the InChIKey of 2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide?
The InChIKey is LXLZJRSMFURRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c23-19-12-5-4-11-18(19)22(28)26-20(15-7-2-1-3-8-15)14-21(27)25-16-9-6-10-17(13-16)31(24,29)30/h1-13,20H,14H2,(H,25,27)(H,26,28)(H2,24,29,30).
What are the key properties of 2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide?
2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide has a molecular weight of 457.94 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide is sourced from PubChem (CID 4282382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).