2-amino-N-(3-hexoxypropyl)benzenesulfonamide

C15H26N2O3S — CID 58720589

IUPAC2-amino-N-(3-hexoxypropyl)benzenesulfonamide
SMILESCCCCCCOCCCNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C15H26N2O3S/c1-2-3-4-7-12-20-13-8-11-17-21(18,19)15-10-6-5-9-14(15)16/h5-6,9-10,17H,2-4,7-8,11-13,16H2,1H3
InChIKeyUGGFPQMGHAHHAN-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.53
Rot. Bonds11

About 2-amino-N-(3-hexoxypropyl)benzenesulfonamide

2-amino-N-(3-hexoxypropyl)benzenesulfonamide (PubChem CID 58720589) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-amino-N-(3-hexoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-hexoxypropyl)benzenesulfonamide
PubChem CID58720589
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-amino-N-(3-hexoxypropyl)benzenesulfonamide
SMILESCCCCCCOCCCNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C15H26N2O3S/c1-2-3-4-7-12-20-13-8-11-17-21(18,19)15-10-6-5-9-14(15)16/h5-6,9-10,17H,2-4,7-8,11-13,16H2,1H3
InChIKeyUGGFPQMGHAHHAN-UHFFFAOYSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-2-methylsulfonylbenzenesulfonamide
CID 55559217
3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308661
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
N-(3-octoxypropyl)-1-phenylmethanesulfonamide
CID 19014106
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074176
2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
CID 126467495
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
CID 61171428
2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
CID 106308340
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hexoxypropyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(3-hexoxypropyl)benzenesulfonamide (CID 58720589) is 2-amino-N-(3-hexoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-hexoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-hexoxypropyl)benzenesulfonamide is CCCCCCOCCCNS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(3-hexoxypropyl)benzenesulfonamide?
The InChIKey is UGGFPQMGHAHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-2-3-4-7-12-20-13-8-11-17-21(18,19)15-10-6-5-9-14(15)16/h5-6,9-10,17H,2-4,7-8,11-13,16H2,1H3.
What are the key properties of 2-amino-N-(3-hexoxypropyl)benzenesulfonamide?
2-amino-N-(3-hexoxypropyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hexoxypropyl)benzenesulfonamide is sourced from PubChem (CID 58720589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).