N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide

C15H23NO5S — CID 46633566

IUPACN-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCOCC2CC2)c1
InChIInChI=1S/C15H23NO5S/c1-19-13-6-7-14(20-2)15(10-13)22(17,18)16-8-3-9-21-11-12-4-5-12/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3
InChIKeyVGLFZUMQNHJWAA-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.80
Rot. Bonds10

About N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide

N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 46633566) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID46633566
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCOCC2CC2)c1
InChIInChI=1S/C15H23NO5S/c1-19-13-6-7-14(20-2)15(10-13)22(17,18)16-8-3-9-21-11-12-4-5-12/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3
InChIKeyVGLFZUMQNHJWAA-UHFFFAOYSA-N
XLogP1.80
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.80
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

2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 46633637
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 110603011
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide
CID 39624570
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 30366359

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide (CID 46633566) is N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCCOCC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is VGLFZUMQNHJWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-19-13-6-7-14(20-2)15(10-13)22(17,18)16-8-3-9-21-11-12-4-5-12/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide?
N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 46633566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).