N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide

C23H20ClNO4S — CID 134870208

IUPACN-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2)CC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClNO4S/c1-17-7-13-21(14-8-17)30(28,29)25(15-22(26)18-5-3-2-4-6-18)16-23(27)19-9-11-20(24)12-10-19/h2-14H,15-16H2,1H3
InChIKeyKGPGDMYMLAGTNB-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.40
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide

N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide (PubChem CID 134870208) has the molecular formula C23H20ClNO4S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide
PubChem CID134870208
Molecular FormulaC23H20ClNO4S
Molecular Weight441.94 g/mol
Exact Mass441.08
IUPAC NameN-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2)CC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClNO4S/c1-17-7-13-21(14-8-17)30(28,29)25(15-22(26)18-5-3-2-4-6-18)16-23(27)19-9-11-20(24)12-10-19/h2-14H,15-16H2,1H3
InChIKeyKGPGDMYMLAGTNB-UHFFFAOYSA-N
XLogP4.40
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide (CID 134870208) is N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2)CC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide?
The InChIKey is KGPGDMYMLAGTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4S/c1-17-7-13-21(14-8-17)30(28,29)25(15-22(26)18-5-3-2-4-6-18)16-23(27)19-9-11-20(24)12-10-19/h2-14H,15-16H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide?
N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide has a molecular weight of 441.94 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-N-phenacylbenzenesulfonamide is sourced from PubChem (CID 134870208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).