3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide

C21H18ClNO3S — CID 18076702

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18ClNO3S/c22-17-10-12-18(13-11-17)27(25,26)15-14-21(24)23-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)
InChIKeyPEADEJBDTBVBSL-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.81
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide (PubChem CID 18076702) has the molecular formula C21H18ClNO3S and a molecular weight of 399.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
PubChem CID18076702
Molecular FormulaC21H18ClNO3S
Molecular Weight399.90 g/mol
Exact Mass399.07
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18ClNO3S/c22-17-10-12-18(13-11-17)27(25,26)15-14-21(24)23-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)
InChIKeyPEADEJBDTBVBSL-UHFFFAOYSA-N
XLogP4.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
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CID 2902895
3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
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3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide (CID 18076702) is 3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide?
The InChIKey is PEADEJBDTBVBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3S/c22-17-10-12-18(13-11-17)27(25,26)15-14-21(24)23-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide has a molecular weight of 399.90 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 18076702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).