2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid

C12H10BrNO4S2 — CID 65345395

IUPAC2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C12H10BrNO4S2/c13-10-4-5-12(19-10)20(17,18)14-9-3-1-2-8(6-9)7-11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyQMOBRQIJAAOAOV-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.94
Rot. Bonds5

About 2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid

2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid (PubChem CID 65345395) has the molecular formula C12H10BrNO4S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
PubChem CID65345395
Molecular FormulaC12H10BrNO4S2
Molecular Weight376.25 g/mol
Exact Mass374.92
IUPAC Name2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C12H10BrNO4S2/c13-10-4-5-12(19-10)20(17,18)14-9-3-1-2-8(6-9)7-11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyQMOBRQIJAAOAOV-UHFFFAOYSA-N
XLogP2.94
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075750
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578
2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
CID 23061993
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 31580807
2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339698
3-[(5-bromothiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 43343845
3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339486
5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 2198378
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444
5-bromo-N-[3-(1,3-dithiolan-2-yl)phenyl]thiophene-2-sulfonamide
CID 27658375
2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
CID 155946485

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid (CID 65345395) is 2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid is O=C(O)Cc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid?
The InChIKey is QMOBRQIJAAOAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S2/c13-10-4-5-12(19-10)20(17,18)14-9-3-1-2-8(6-9)7-11(15)16/h1-6,14H,7H2,(H,15,16).
What are the key properties of 2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid?
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid has a molecular weight of 376.25 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 65345395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).