N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide

C19H20Cl3N3O3S — CID 1210667

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl3N3O3S/c1-29(27,28)25(18-11-15(21)9-16(22)12-18)13-19(26)24-7-5-23(6-8-24)17-4-2-3-14(20)10-17/h2-4,9-12H,5-8,13H2,1H3
InChIKeyYSOACBZJNXBEFF-UHFFFAOYSA-N
MW476.81 g/mol
LogP3.76
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide (PubChem CID 1210667) has the molecular formula C19H20Cl3N3O3S and a molecular weight of 476.81 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide
PubChem CID1210667
Molecular FormulaC19H20Cl3N3O3S
Molecular Weight476.81 g/mol
Exact Mass475.03
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl3N3O3S/c1-29(27,28)25(18-11-15(21)9-16(22)12-18)13-19(26)24-7-5-23(6-8-24)17-4-2-3-14(20)10-17/h2-4,9-12H,5-8,13H2,1H3
InChIKeyYSOACBZJNXBEFF-UHFFFAOYSA-N
XLogP3.76
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.81
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide (CID 1210667) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide?
The InChIKey is YSOACBZJNXBEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O3S/c1-29(27,28)25(18-11-15(21)9-16(22)12-18)13-19(26)24-7-5-23(6-8-24)17-4-2-3-14(20)10-17/h2-4,9-12H,5-8,13H2,1H3.
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide has a molecular weight of 476.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 1210667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).