N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide

C21H29N3O3S — CID 11327137

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H29N3O3S/c1-18-8-10-19(11-9-18)28(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)27-2/h3-4,6-11,22H,5,12-17H2,1-2H3
InChIKeyJIZCSAVNRLQTOU-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.49
Rot. Bonds8

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide (PubChem CID 11327137) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide
PubChem CID11327137
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H29N3O3S/c1-18-8-10-19(11-9-18)28(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)27-2/h3-4,6-11,22H,5,12-17H2,1-2H3
InChIKeyJIZCSAVNRLQTOU-UHFFFAOYSA-N
XLogP2.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
Psb-12062
CID 2320735
SB 258585
CID 3248571
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
6-Iodo-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-2,3-dihydroindole
CID 10413595
5-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 10505579
3-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10648664
N-(5-iodo-2-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940101
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
4-(2-Fluorophenyl)sulfonyl-6-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 17960999
3-iodo-N-(4-methoxy-3-piperazin-1-ylphenyl)benzenesulfonamide
CID 18180191

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide (CID 11327137) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide is COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide?
The InChIKey is JIZCSAVNRLQTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-18-8-10-19(11-9-18)28(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)27-2/h3-4,6-11,22H,5,12-17H2,1-2H3.
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide has a molecular weight of 403.55 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11327137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).