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

C13H20BrN3O3S — CID 43256797

IUPAC4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(Br)c1
InChIInChI=1S/C13H20BrN3O3S/c14-12-10-11(15)2-3-13(12)21(18,19)16-4-1-5-17-6-8-20-9-7-17/h2-3,10,16H,1,4-9,15H2
InChIKeyDSWZOSNQYLNZEE-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.03
Rot. Bonds6

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

4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 43256797) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID43256797
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC Name4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(Br)c1
InChIInChI=1S/C13H20BrN3O3S/c14-12-10-11(15)2-3-13(12)21(18,19)16-4-1-5-17-6-8-20-9-7-17/h2-3,10,16H,1,4-9,15H2
InChIKeyDSWZOSNQYLNZEE-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

2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3138209
2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60822981
5-amino-2-bromo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65207152
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
CID 16644689
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55871540

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 43256797) is 4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(Br)c1.
What is the InChIKey of 4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is DSWZOSNQYLNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c14-12-10-11(15)2-3-13(12)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 4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-amino-2-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 4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 43256797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).