N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide

C19H24ClN3O2S — CID 112984531

IUPACN-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H24ClN3O2S/c1-2-14-26(24,25)21-17-6-8-18(9-7-17)22-10-12-23(13-11-22)19-5-3-4-16(20)15-19/h3-9,15,21H,2,10-14H2,1H3
InChIKeyJRVWJFMPBQOQIZ-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.82
Rot. Bonds6

About N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide

N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide (PubChem CID 112984531) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
PubChem CID112984531
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC NameN-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H24ClN3O2S/c1-2-14-26(24,25)21-17-6-8-18(9-7-17)22-10-12-23(13-11-22)19-5-3-4-16(20)15-19/h3-9,15,21H,2,10-14H2,1H3
InChIKeyJRVWJFMPBQOQIZ-UHFFFAOYSA-N
XLogP3.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 110368214
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
CID 113014317
1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide
CID 90595959
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chlorobenzenesulfonamide
CID 110369727
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 110361846
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
1-(2-chloro-6-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide
CID 99971656
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide (CID 112984531) is N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide?
The InChIKey is JRVWJFMPBQOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-2-14-26(24,25)21-17-6-8-18(9-7-17)22-10-12-23(13-11-22)19-5-3-4-16(20)15-19/h3-9,15,21H,2,10-14H2,1H3.
What are the key properties of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide?
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide has a molecular weight of 393.94 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112984531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).