4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide

C18H31N3O3S — CID 51121163

IUPAC4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCCCN2CCN(C)CC2)cc1C
InChIInChI=1S/C18H31N3O3S/c1-15-14-18(16(2)13-17(15)24-4)25(22,23)19-7-5-6-8-21-11-9-20(3)10-12-21/h13-14,19H,5-12H2,1-4H3
InChIKeyCUSVCMMXZYVJAG-UHFFFAOYSA-N
MW369.53 g/mol
LogP1.62
Rot. Bonds8

About 4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide

4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide (PubChem CID 51121163) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
PubChem CID51121163
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Name4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCCCN2CCN(C)CC2)cc1C
InChIInChI=1S/C18H31N3O3S/c1-15-14-18(16(2)13-17(15)24-4)25(22,23)19-7-5-6-8-21-11-9-20(3)10-12-21/h13-14,19H,5-12H2,1-4H3
InChIKeyCUSVCMMXZYVJAG-UHFFFAOYSA-N
XLogP1.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 51.62
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-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
4-methoxy-2-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 99839771
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824149
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 42389503
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110719180
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55871540
2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
CID 3132631
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide (CID 51121163) is 4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCCCN2CCN(C)CC2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The InChIKey is CUSVCMMXZYVJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-15-14-18(16(2)13-17(15)24-4)25(22,23)19-7-5-6-8-21-11-9-20(3)10-12-21/h13-14,19H,5-12H2,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide has a molecular weight of 369.53 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 51121163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).