3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide

C14H13BrN2O3S — CID 81201482

IUPAC3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide
SMILESNC(=O)c1cccc(CS(=O)(=O)c2cc(Br)ccc2N)c1
InChIInChI=1S/C14H13BrN2O3S/c15-11-4-5-12(16)13(7-11)21(19,20)8-9-2-1-3-10(6-9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyHECSTWIPWAZXGH-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.10
Rot. Bonds4

About 3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide

3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide (PubChem CID 81201482) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide
PubChem CID81201482
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide
SMILESNC(=O)c1cccc(CS(=O)(=O)c2cc(Br)ccc2N)c1
InChIInChI=1S/C14H13BrN2O3S/c15-11-4-5-12(16)13(7-11)21(19,20)8-9-2-1-3-10(6-9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyHECSTWIPWAZXGH-UHFFFAOYSA-N
XLogP2.10
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide?
The IUPAC name of 3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide (CID 81201482) is 3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide.
What is the SMILES notation for 3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide?
The canonical SMILES for 3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide is NC(=O)c1cccc(CS(=O)(=O)c2cc(Br)ccc2N)c1.
What is the InChIKey of 3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide?
The InChIKey is HECSTWIPWAZXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c15-11-4-5-12(16)13(7-11)21(19,20)8-9-2-1-3-10(6-9)14(17)18/h1-7H,8,16H2,(H2,17,18).
What are the key properties of 3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide?
3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide has a molecular weight of 369.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide is sourced from PubChem (CID 81201482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).