2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide

C14H13BrN2O3S — CID 17412326

IUPAC2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C14H13BrN2O3S/c1-9-6-7-10(15)8-13(9)21(19,20)17-12-5-3-2-4-11(12)14(16)18/h2-8,17H,1H3,(H2,16,18)
InChIKeyBQESFZKBVYFMMW-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.66
Rot. Bonds4

About 2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide

2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide (PubChem CID 17412326) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
PubChem CID17412326
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C14H13BrN2O3S/c1-9-6-7-10(15)8-13(9)21(19,20)17-12-5-3-2-4-11(12)14(16)18/h2-8,17H,1H3,(H2,16,18)
InChIKeyBQESFZKBVYFMMW-UHFFFAOYSA-N
XLogP2.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 24502280
2-[(2-bromophenyl)sulfonylamino]benzamide
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CID 91824586
5-bromo-2-[(2-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 82694519
2-[(2,5-dibromophenyl)sulfonylamino]benzenecarbothioamide
CID 28880730
2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide
CID 65206664
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671
[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
CID 36511162
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824621
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331442

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide (CID 17412326) is 2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide?
The InChIKey is BQESFZKBVYFMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-9-6-7-10(15)8-13(9)21(19,20)17-12-5-3-2-4-11(12)14(16)18/h2-8,17H,1H3,(H2,16,18).
What are the key properties of 2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide?
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide has a molecular weight of 369.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 17412326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).