N-(3-ethoxypropyl)benzenesulfonamide

C11H17NO3S — CID 2172319

IUPACN-(3-ethoxypropyl)benzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-2-15-10-6-9-12-16(13,14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyGHAWLPQMWFTQBE-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.39
Rot. Bonds7

About N-(3-ethoxypropyl)benzenesulfonamide

N-(3-ethoxypropyl)benzenesulfonamide (PubChem CID 2172319) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(3-ethoxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)benzenesulfonamide
PubChem CID2172319
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(3-ethoxypropyl)benzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-2-15-10-6-9-12-16(13,14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyGHAWLPQMWFTQBE-UHFFFAOYSA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bensulide
CID 12932
N-Butylbenzenesulfonamide
CID 19241
N-Ethylbenzenesulfonamide
CID 79279
N-(2-aminoethyl)benzenesulfonamide
CID 12841745
n-Allylbenzenesulfonamide
CID 257467
N-(2-hydroxyethyl)benzenesulfonamide
CID 1722145
Benzenesulfonamide, N-(2-hydroxypropyl)-
CID 3015760
N-Ethyl-4-fluorobenzenesulfonamide
CID 565733
4-(2-Methoxyethylselanyl)benzenesulfonamide
CID 145959524
N-(1-Methyl-butyl)-benzenesulfonamide
CID 653062
(Phenylsulfonyl)(2-{2-[(phenylsulfonyl)amino]ethoxy}ethyl)amine
CID 2270178
N-(3-methoxypropyl)-4-methylbenzenesulfonamide
CID 1728149

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)benzenesulfonamide?
The IUPAC name of N-(3-ethoxypropyl)benzenesulfonamide (CID 2172319) is N-(3-ethoxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)benzenesulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)benzenesulfonamide is CCOCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-ethoxypropyl)benzenesulfonamide?
The InChIKey is GHAWLPQMWFTQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-15-10-6-9-12-16(13,14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3.
What are the key properties of N-(3-ethoxypropyl)benzenesulfonamide?
N-(3-ethoxypropyl)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)benzenesulfonamide is sourced from PubChem (CID 2172319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).