(2-amino-5-bromophenyl)sulfonylurea

C7H8BrN3O3S — CID 116646105

IUPAC(2-amino-5-bromophenyl)sulfonylurea
SMILESNC(=O)NS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C7H8BrN3O3S/c8-4-1-2-5(9)6(3-4)15(13,14)11-7(10)12/h1-3H,9H2,(H3,10,11,12)
InChIKeyDCHKQKGLSMTOPL-UHFFFAOYSA-N
MW294.13 g/mol
LogP0.39
Rot. Bonds2

About (2-amino-5-bromophenyl)sulfonylurea

(2-amino-5-bromophenyl)sulfonylurea (PubChem CID 116646105) has the molecular formula C7H8BrN3O3S and a molecular weight of 294.13 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)sulfonylurea.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)sulfonylurea
PubChem CID116646105
Molecular FormulaC7H8BrN3O3S
Molecular Weight294.13 g/mol
Exact Mass292.95
IUPAC Name(2-amino-5-bromophenyl)sulfonylurea
SMILESNC(=O)NS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C7H8BrN3O3S/c8-4-1-2-5(9)6(3-4)15(13,14)11-7(10)12/h1-3H,9H2,(H3,10,11,12)
InChIKeyDCHKQKGLSMTOPL-UHFFFAOYSA-N
XLogP0.39
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-bromophenyl)sulfonyl-3-tert-butylurea
CID 116646538
2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide
CID 54889044
4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
CID 54888437
2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
CID 106233732
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66089868
2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61167481
2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 54888928
2-amino-5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248581
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 63401977
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)sulfonylurea?
The IUPAC name of (2-amino-5-bromophenyl)sulfonylurea (CID 116646105) is (2-amino-5-bromophenyl)sulfonylurea.
What is the SMILES notation for (2-amino-5-bromophenyl)sulfonylurea?
The canonical SMILES for (2-amino-5-bromophenyl)sulfonylurea is NC(=O)NS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of (2-amino-5-bromophenyl)sulfonylurea?
The InChIKey is DCHKQKGLSMTOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O3S/c8-4-1-2-5(9)6(3-4)15(13,14)11-7(10)12/h1-3H,9H2,(H3,10,11,12).
What are the key properties of (2-amino-5-bromophenyl)sulfonylurea?
(2-amino-5-bromophenyl)sulfonylurea has a molecular weight of 294.13 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)sulfonylurea is sourced from PubChem (CID 116646105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).