2-bromo-5-morpholin-4-ylsulfonylaniline

C10H13BrN2O3S — CID 115328547

IUPAC2-bromo-5-morpholin-4-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCOCC2)ccc1Br
InChIInChI=1S/C10H13BrN2O3S/c11-9-2-1-8(7-10(9)12)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
InChIKeyZNFRKUVHGMBKEA-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.05
Rot. Bonds2

About 2-bromo-5-morpholin-4-ylsulfonylaniline

2-bromo-5-morpholin-4-ylsulfonylaniline (PubChem CID 115328547) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-bromo-5-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name2-bromo-5-morpholin-4-ylsulfonylaniline
PubChem CID115328547
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name2-bromo-5-morpholin-4-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCOCC2)ccc1Br
InChIInChI=1S/C10H13BrN2O3S/c11-9-2-1-8(7-10(9)12)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
InChIKeyZNFRKUVHGMBKEA-UHFFFAOYSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-morpholin-4-ylsulfonylaniline
CID 54850283
4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide
CID 115329028
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
2-bromo-5-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 115328758
4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline
CID 3619797
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
CID 3868598
2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline
CID 3368163
(2-amino-2-oxoethyl) 2-bromo-5-morpholin-4-ylsulfonylbenzoate
CID 7803565
2-bromo-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542754
1-(3-amino-4-bromophenyl)sulfonyl-3-methylazetidin-3-ol
CID 107212691
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
(3S)-1-(3-amino-4-bromophenyl)sulfonylpiperidin-3-ol
CID 107213789

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-morpholin-4-ylsulfonylaniline?
The IUPAC name of 2-bromo-5-morpholin-4-ylsulfonylaniline (CID 115328547) is 2-bromo-5-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 2-bromo-5-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 2-bromo-5-morpholin-4-ylsulfonylaniline is Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Br.
What is the InChIKey of 2-bromo-5-morpholin-4-ylsulfonylaniline?
The InChIKey is ZNFRKUVHGMBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c11-9-2-1-8(7-10(9)12)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2.
What are the key properties of 2-bromo-5-morpholin-4-ylsulfonylaniline?
2-bromo-5-morpholin-4-ylsulfonylaniline has a molecular weight of 321.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 115328547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).