N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C17H30N2O3S — CID 110440475

IUPACN-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCCN(CC)CCCCNS(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C17H30N2O3S/c1-6-19(7-2)11-9-8-10-18-23(20,21)17-13-15(4)14(3)12-16(17)22-5/h12-13,18H,6-11H2,1-5H3
InChIKeyDTSRSQQILZJGNB-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.71
Rot. Bonds10

About N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 110440475) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID110440475
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC NameN-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCCN(CC)CCCCNS(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C17H30N2O3S/c1-6-19(7-2)11-9-8-10-18-23(20,21)17-13-15(4)14(3)12-16(17)22-5/h12-13,18H,6-11H2,1-5H3
InChIKeyDTSRSQQILZJGNB-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide
CID 113066032
N-(4-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 120583356
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 110440475) is N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is CCN(CC)CCCCNS(=O)(=O)c1cc(C)c(C)cc1OC.
What is the InChIKey of N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is DTSRSQQILZJGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-6-19(7-2)11-9-8-10-18-23(20,21)17-13-15(4)14(3)12-16(17)22-5/h12-13,18H,6-11H2,1-5H3.
What are the key properties of N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 342.51 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110440475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).