1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide

C21H28ClN3O2S — CID 16890761

IUPAC1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide
SMILESCN1CCN(c2ccc(CCCNS(=O)(=O)Cc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C21H28ClN3O2S/c1-24-13-15-25(16-14-24)20-10-8-18(9-11-20)5-4-12-23-28(26,27)17-19-6-2-3-7-21(19)22/h2-3,6-11,23H,4-5,12-17H2,1H3
InChIKeyZEWQJYURJLGSFW-UHFFFAOYSA-N
MW421.99 g/mol
LogP3.14
Rot. Bonds8

About 1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide

1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide (PubChem CID 16890761) has the molecular formula C21H28ClN3O2S and a molecular weight of 421.99 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide
PubChem CID16890761
Molecular FormulaC21H28ClN3O2S
Molecular Weight421.99 g/mol
Exact Mass421.16
IUPAC Name1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide
SMILESCN1CCN(c2ccc(CCCNS(=O)(=O)Cc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C21H28ClN3O2S/c1-24-13-15-25(16-14-24)20-10-8-18(9-11-20)5-4-12-23-28(26,27)17-19-6-2-3-7-21(19)22/h2-3,6-11,23H,4-5,12-17H2,1H3
InChIKeyZEWQJYURJLGSFW-UHFFFAOYSA-N
XLogP3.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.99
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890659
4-chloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzenesulfonamide
CID 16890704
1-(2,5-dimethylphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]methanesulfonamide
CID 16890973
1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide
CID 16891200
3-chloro-4-methoxy-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzenesulfonamide
CID 16890745
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 4317850
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-3-nitrobenzenesulfonamide
CID 16890717
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891852
3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide
CID 16889710

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide (CID 16890761) is 1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide is CN1CCN(c2ccc(CCCNS(=O)(=O)Cc3ccccc3Cl)cc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide?
The InChIKey is ZEWQJYURJLGSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2S/c1-24-13-15-25(16-14-24)20-10-8-18(9-11-20)5-4-12-23-28(26,27)17-19-6-2-3-7-21(19)22/h2-3,6-11,23H,4-5,12-17H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide has a molecular weight of 421.99 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide is sourced from PubChem (CID 16890761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).