N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide

C21H27Cl2N3O2S — CID 22359436

IUPACN-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(N2CCN(CC)CC2)cc(-c2ccccc2Cl)c1Cl
InChIInChI=1S/C21H27Cl2N3O2S/c1-3-13-29(27,28)24-20-15-16(26-11-9-25(4-2)10-12-26)14-18(21(20)23)17-7-5-6-8-19(17)22/h5-8,14-15,24H,3-4,9-13H2,1-2H3
InChIKeyNPWPSAGNSIYVSG-UHFFFAOYSA-N
MW456.44 g/mol
LogP4.95
Rot. Bonds7

About N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide

N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide (PubChem CID 22359436) has the molecular formula C21H27Cl2N3O2S and a molecular weight of 456.44 g/mol. Its IUPAC name is N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide
PubChem CID22359436
Molecular FormulaC21H27Cl2N3O2S
Molecular Weight456.44 g/mol
Exact Mass455.12
IUPAC NameN-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(N2CCN(CC)CC2)cc(-c2ccccc2Cl)c1Cl
InChIInChI=1S/C21H27Cl2N3O2S/c1-3-13-29(27,28)24-20-15-16(26-11-9-25(4-2)10-12-26)14-18(21(20)23)17-7-5-6-8-19(17)22/h5-8,14-15,24H,3-4,9-13H2,1-2H3
InChIKeyNPWPSAGNSIYVSG-UHFFFAOYSA-N
XLogP4.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 17486851
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 110361846
N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 60640535
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 39629010
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 118029333
N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
CID 110400368
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide
CID 110361957
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 36565957
2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione
CID 57339344

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide (CID 22359436) is N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(N2CCN(CC)CC2)cc(-c2ccccc2Cl)c1Cl.
What is the InChIKey of N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide?
The InChIKey is NPWPSAGNSIYVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl2N3O2S/c1-3-13-29(27,28)24-20-15-16(26-11-9-25(4-2)10-12-26)14-18(21(20)23)17-7-5-6-8-19(17)22/h5-8,14-15,24H,3-4,9-13H2,1-2H3.
What are the key properties of N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide?
N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide has a molecular weight of 456.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 22359436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).