2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide

C12H19ClN2O3S — CID 82940052

IUPAC2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O3S/c1-2-7-18-8-3-6-15-19(16,17)12-9-10(13)4-5-11(12)14/h4-5,9,15H,2-3,6-8,14H2,1H3
InChIKeyVDDJELLARZIUJG-UHFFFAOYSA-N
MW306.81 g/mol
LogP2.02
Rot. Bonds8

About 2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide

2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide (PubChem CID 82940052) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
PubChem CID82940052
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O3S/c1-2-7-18-8-3-6-15-19(16,17)12-9-10(13)4-5-11(12)14/h4-5,9,15H,2-3,6-8,14H2,1H3
InChIKeyVDDJELLARZIUJG-UHFFFAOYSA-N
XLogP2.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 52.02
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

2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 54888381
2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
CID 61171428
6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949733
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
CID 3830031
2-amino-N-(3-hexoxypropyl)benzenesulfonamide
CID 58720589
2-amino-5-chloro-N-hex-5-ynylbenzenesulfonamide
CID 106208461
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308704
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide (CID 82940052) is 2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide is CCCOCCCNS(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide?
The InChIKey is VDDJELLARZIUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-2-7-18-8-3-6-15-19(16,17)12-9-10(13)4-5-11(12)14/h4-5,9,15H,2-3,6-8,14H2,1H3.
What are the key properties of 2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide?
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide has a molecular weight of 306.81 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide is sourced from PubChem (CID 82940052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).