3-(5-sulfamoylthiophen-2-yl)benzoic acid

C11H9NO4S2 — CID 70941381

IUPAC3-(5-sulfamoylthiophen-2-yl)benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2cccc(C(=O)O)c2)s1
InChIInChI=1S/C11H9NO4S2/c12-18(15,16)10-5-4-9(17-10)7-2-1-3-8(6-7)11(13)14/h1-6H,(H,13,14)(H2,12,15,16)
InChIKeyYWJZMVWHONLGBK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.76
Rot. Bonds3

About 3-(5-sulfamoylthiophen-2-yl)benzoic acid

3-(5-sulfamoylthiophen-2-yl)benzoic acid (PubChem CID 70941381) has the molecular formula C11H9NO4S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(5-sulfamoylthiophen-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-sulfamoylthiophen-2-yl)benzoic acid
PubChem CID70941381
Molecular FormulaC11H9NO4S2
Molecular Weight283.33 g/mol
Exact Mass283.00
IUPAC Name3-(5-sulfamoylthiophen-2-yl)benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2cccc(C(=O)O)c2)s1
InChIInChI=1S/C11H9NO4S2/c12-18(15,16)10-5-4-9(17-10)7-2-1-3-8(6-7)11(13)14/h1-6H,(H,13,14)(H2,12,15,16)
InChIKeyYWJZMVWHONLGBK-UHFFFAOYSA-N
XLogP1.76
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101507
4-(5-ethylsulfonylthiophen-2-yl)benzoic acid
CID 59264655
5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide
CID 57469021
3-[5-(ethylaminomethyl)thiophen-2-yl]benzoic acid
CID 84756409
3-(4,6-diamino-1,3,5-triazin-2-yl)benzoic acid
CID 139724485
3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-[(5-phenylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 110631430
N-(4-fluorophenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101514
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662

Frequently Asked Questions

What is the IUPAC name of 3-(5-sulfamoylthiophen-2-yl)benzoic acid?
The IUPAC name of 3-(5-sulfamoylthiophen-2-yl)benzoic acid (CID 70941381) is 3-(5-sulfamoylthiophen-2-yl)benzoic acid.
What is the SMILES notation for 3-(5-sulfamoylthiophen-2-yl)benzoic acid?
The canonical SMILES for 3-(5-sulfamoylthiophen-2-yl)benzoic acid is NS(=O)(=O)c1ccc(-c2cccc(C(=O)O)c2)s1.
What is the InChIKey of 3-(5-sulfamoylthiophen-2-yl)benzoic acid?
The InChIKey is YWJZMVWHONLGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S2/c12-18(15,16)10-5-4-9(17-10)7-2-1-3-8(6-7)11(13)14/h1-6H,(H,13,14)(H2,12,15,16).
What are the key properties of 3-(5-sulfamoylthiophen-2-yl)benzoic acid?
3-(5-sulfamoylthiophen-2-yl)benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-sulfamoylthiophen-2-yl)benzoic acid is sourced from PubChem (CID 70941381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).