2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid

C14H12BrNO4S — CID 62534954

IUPAC2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H12BrNO4S/c15-11-5-3-6-12(9-11)21(19,20)16-13-7-2-1-4-10(13)8-14(17)18/h1-7,9,16H,8H2,(H,17,18)
InChIKeyIVGZHIRIUNUTPO-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.88
Rot. Bonds5

About 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid

2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid (PubChem CID 62534954) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid
PubChem CID62534954
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H12BrNO4S/c15-11-5-3-6-12(9-11)21(19,20)16-13-7-2-1-4-10(13)8-14(17)18/h1-7,9,16H,8H2,(H,17,18)
InChIKeyIVGZHIRIUNUTPO-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
CID 43218183
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068095
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-[2-[(3-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 62536493
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate
CID 17480748
2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide
CID 166186381
2-[4-[(3-bromophenyl)sulfonylmethyl]phenyl]acetic acid
CID 105345580
3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
CID 30286365
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide
CID 70636800

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid (CID 62534954) is 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid is O=C(O)Cc1ccccc1NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid?
The InChIKey is IVGZHIRIUNUTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c15-11-5-3-6-12(9-11)21(19,20)16-13-7-2-1-4-10(13)8-14(17)18/h1-7,9,16H,8H2,(H,17,18).
What are the key properties of 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid?
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid has a molecular weight of 370.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 62534954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).