2-(benzylsulfonylamino)-5-bromobenzoic acid

C14H12BrNO4S — CID 45297744

IUPAC2-(benzylsulfonylamino)-5-bromobenzoic acid
SMILESO=C(O)c1cc(Br)ccc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H12BrNO4S/c15-11-6-7-13(12(8-11)14(17)18)16-21(19,20)9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18)
InChIKeyRQMLGQUAXPPRSN-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.09
Rot. Bonds5

About 2-(benzylsulfonylamino)-5-bromobenzoic acid

2-(benzylsulfonylamino)-5-bromobenzoic acid (PubChem CID 45297744) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-(benzylsulfonylamino)-5-bromobenzoic acid.

Molecular Properties

Compound Name2-(benzylsulfonylamino)-5-bromobenzoic acid
PubChem CID45297744
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name2-(benzylsulfonylamino)-5-bromobenzoic acid
SMILESO=C(O)c1cc(Br)ccc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H12BrNO4S/c15-11-6-7-13(12(8-11)14(17)18)16-21(19,20)9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18)
InChIKeyRQMLGQUAXPPRSN-UHFFFAOYSA-N
XLogP3.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(dimethylsulfamoylamino)benzoic acid
CID 55031300
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
CID 28939221
4-[(3-bromophenyl)sulfamoylmethyl]benzoic acid
CID 43362486
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106342777
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 62072595
5-[(2-acetyl-4-bromophenyl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 75454534

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfonylamino)-5-bromobenzoic acid?
The IUPAC name of 2-(benzylsulfonylamino)-5-bromobenzoic acid (CID 45297744) is 2-(benzylsulfonylamino)-5-bromobenzoic acid.
What is the SMILES notation for 2-(benzylsulfonylamino)-5-bromobenzoic acid?
The canonical SMILES for 2-(benzylsulfonylamino)-5-bromobenzoic acid is O=C(O)c1cc(Br)ccc1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-(benzylsulfonylamino)-5-bromobenzoic acid?
The InChIKey is RQMLGQUAXPPRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c15-11-6-7-13(12(8-11)14(17)18)16-21(19,20)9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18).
What are the key properties of 2-(benzylsulfonylamino)-5-bromobenzoic acid?
2-(benzylsulfonylamino)-5-bromobenzoic acid has a molecular weight of 370.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfonylamino)-5-bromobenzoic acid is sourced from PubChem (CID 45297744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).