N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide

C17H29NO3S — CID 3718004

IUPACN-[3-(2-ethylhexoxy)propyl]benzenesulfonamide
SMILESCCCCC(CC)COCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H29NO3S/c1-3-5-10-16(4-2)15-21-14-9-13-18-22(19,20)17-11-7-6-8-12-17/h6-8,11-12,16,18H,3-5,9-10,13-15H2,1-2H3
InChIKeyWMWSUOUGEHYIDC-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.59
Rot. Bonds12

About N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide

N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide (PubChem CID 3718004) has the molecular formula C17H29NO3S and a molecular weight of 327.49 g/mol. Its IUPAC name is N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-ethylhexoxy)propyl]benzenesulfonamide
PubChem CID3718004
Molecular FormulaC17H29NO3S
Molecular Weight327.49 g/mol
Exact Mass327.19
IUPAC NameN-[3-(2-ethylhexoxy)propyl]benzenesulfonamide
SMILESCCCCC(CC)COCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H29NO3S/c1-3-5-10-16(4-2)15-21-14-9-13-18-22(19,20)17-11-7-6-8-12-17/h6-8,11-12,16,18H,3-5,9-10,13-15H2,1-2H3
InChIKeyWMWSUOUGEHYIDC-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide?
The IUPAC name of N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide (CID 3718004) is N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide?
The canonical SMILES for N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide is CCCCC(CC)COCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide?
The InChIKey is WMWSUOUGEHYIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3S/c1-3-5-10-16(4-2)15-21-14-9-13-18-22(19,20)17-11-7-6-8-12-17/h6-8,11-12,16,18H,3-5,9-10,13-15H2,1-2H3.
What are the key properties of N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide?
N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide has a molecular weight of 327.49 g/mol, XLogP of 3.59, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 3718004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).