N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide

C12H19NO4S — CID 47104251

IUPACN-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C12H19NO4S/c1-3-17-10-6-9-13-18(14,15)12-8-5-4-7-11(12)16-2/h4-5,7-8,13H,3,6,9-10H2,1-2H3
InChIKeySNPPMPJYQUAUTG-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.40
Rot. Bonds8

About N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide

N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide (PubChem CID 47104251) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
PubChem CID47104251
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C12H19NO4S/c1-3-17-10-6-9-13-18(14,15)12-8-5-4-7-11(12)16-2/h4-5,7-8,13H,3,6,9-10H2,1-2H3
InChIKeySNPPMPJYQUAUTG-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.40
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

2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
N-(3-ethoxypropyl)-2-methoxyaniline
CID 65176309
2-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144389
2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 66486044
(E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
CID 9160581
N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55043958
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
N-(3-butoxypropyl)-2-methylsulfonylbenzenesulfonamide
CID 55559217
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773691

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide (CID 47104251) is N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide is CCOCCCNS(=O)(=O)c1ccccc1OC.
What is the InChIKey of N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide?
The InChIKey is SNPPMPJYQUAUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-3-17-10-6-9-13-18(14,15)12-8-5-4-7-11(12)16-2/h4-5,7-8,13H,3,6,9-10H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide?
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 47104251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).