2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C13H20BrN3O3S — CID 60986438

IUPAC2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H20BrN3O3S/c14-11-2-3-12(15)13(10-11)21(18,19)16-4-1-5-17-6-8-20-9-7-17/h2-3,10,16H,1,4-9,15H2
InChIKeyDEWYGUJCWPIQNE-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.03
Rot. Bonds6

About 2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 60986438) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID60986438
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC Name2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H20BrN3O3S/c14-11-2-3-12(15)13(10-11)21(18,19)16-4-1-5-17-6-8-20-9-7-17/h2-3,10,16H,1,4-9,15H2
InChIKeyDEWYGUJCWPIQNE-UHFFFAOYSA-N
XLogP1.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43256797
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3138209
4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
CID 54888437
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60609677

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 60986438) is 2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Nc1ccc(Br)cc1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is DEWYGUJCWPIQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c14-11-2-3-12(15)13(10-11)21(18,19)16-4-1-5-17-6-8-20-9-7-17/h2-3,10,16H,1,4-9,15H2.
What are the key properties of 2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 378.29 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 60986438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).