3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C13H21N3O4S — CID 43348206

IUPAC3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1O
InChIInChI=1S/C13H21N3O4S/c14-12-10-11(2-3-13(12)17)21(18,19)15-4-1-5-16-6-8-20-9-7-16/h2-3,10,15,17H,1,4-9,14H2
InChIKeyRSYCPIJOCXLYHE-UHFFFAOYSA-N
MW315.39 g/mol
LogP-0.03
Rot. Bonds6

About 3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 43348206) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID43348206
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1O
InChIInChI=1S/C13H21N3O4S/c14-12-10-11(2-3-13(12)17)21(18,19)15-4-1-5-16-6-8-20-9-7-16/h2-3,10,15,17H,1,4-9,14H2
InChIKeyRSYCPIJOCXLYHE-UHFFFAOYSA-N
XLogP-0.03
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61106956
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
CID 106030588

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 43348206) is 3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1O.
What is the InChIKey of 3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is RSYCPIJOCXLYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c14-12-10-11(2-3-13(12)17)21(18,19)15-4-1-5-16-6-8-20-9-7-16/h2-3,10,15,17H,1,4-9,14H2.
What are the key properties of 3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 43348206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).