2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide

C23H33N3O3S — CID 70458167

IUPAC2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide
SMILESCOc1ccc(CCCCCN2CCN(c3ccccc3C)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C23H33N3O3S/c1-19-8-5-6-10-21(19)26-16-14-25(15-17-26)13-7-3-4-9-20-11-12-22(29-2)23(18-20)30(24,27)28/h5-6,8,10-12,18H,3-4,7,9,13-17H2,1-2H3,(H2,24,27,28)
InChIKeyAWNIIBALZPANGP-UHFFFAOYSA-N
MW431.60 g/mol
LogP3.19
Rot. Bonds9

About 2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide

2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide (PubChem CID 70458167) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is 2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide
PubChem CID70458167
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide
SMILESCOc1ccc(CCCCCN2CCN(c3ccccc3C)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C23H33N3O3S/c1-19-8-5-6-10-21(19)26-16-14-25(15-17-26)13-7-3-4-9-20-11-12-22(29-2)23(18-20)30(24,27)28/h5-6,8,10-12,18H,3-4,7,9,13-17H2,1-2H3,(H2,24,27,28)
InChIKeyAWNIIBALZPANGP-UHFFFAOYSA-N
XLogP3.19
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.19
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

[2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea
CID 57123647
2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide
CID 70458180
2-methylsulfonyl-5-[5-(4-phenylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 57291702
5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride
CID 22157092
5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide
CID 3063182
3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
CID 10664387
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725618
N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine
CID 10492743
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide (CID 70458167) is 2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide is COc1ccc(CCCCCN2CCN(c3ccccc3C)CC2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide?
The InChIKey is AWNIIBALZPANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-19-8-5-6-10-21(19)26-16-14-25(15-17-26)13-7-3-4-9-20-11-12-22(29-2)23(18-20)30(24,27)28/h5-6,8,10-12,18H,3-4,7,9,13-17H2,1-2H3,(H2,24,27,28).
What are the key properties of 2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide?
2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide has a molecular weight of 431.60 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide is sourced from PubChem (CID 70458167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).