2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide

C13H12BrN3O3S — CID 65206664

IUPAC2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C13H12BrN3O3S/c14-10-6-5-8(15)7-12(10)21(19,20)17-11-4-2-1-3-9(11)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeyDRHVACBRUSDKLO-UHFFFAOYSA-N
MW370.23 g/mol
LogP1.93
Rot. Bonds4

About 2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide

2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide (PubChem CID 65206664) has the molecular formula C13H12BrN3O3S and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide
PubChem CID65206664
Molecular FormulaC13H12BrN3O3S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC Name2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C13H12BrN3O3S/c14-10-6-5-8(15)7-12(10)21(19,20)17-11-4-2-1-3-9(11)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeyDRHVACBRUSDKLO-UHFFFAOYSA-N
XLogP1.93
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 51.93
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

2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
2-[(2,5-dibromophenyl)sulfonylamino]benzenecarbothioamide
CID 28880730
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
CID 17412326
5-amino-2-bromo-N-(2-cyanophenyl)benzenesulfonamide
CID 65201755
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 60986317
5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 65202232
2-[(4-aminothiophen-2-yl)sulfonylamino]benzamide
CID 61301321
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide?
The IUPAC name of 2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide (CID 65206664) is 2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide is NC(=O)c1ccccc1NS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide?
The InChIKey is DRHVACBRUSDKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S/c14-10-6-5-8(15)7-12(10)21(19,20)17-11-4-2-1-3-9(11)13(16)18/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide?
2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide has a molecular weight of 370.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 65206664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).