2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid

C12H9ClFNO4S2 — CID 103099620

IUPAC2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)sc1Cl
InChIInChI=1S/C12H9ClFNO4S2/c1-6-4-10(20-11(6)13)21(18,19)15-9-3-2-7(14)5-8(9)12(16)17/h2-5,15H,1H3,(H,16,17)
InChIKeyBENPOPFZXQOBTI-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.35
Rot. Bonds4

About 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid

2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid (PubChem CID 103099620) has the molecular formula C12H9ClFNO4S2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
PubChem CID103099620
Molecular FormulaC12H9ClFNO4S2
Molecular Weight349.79 g/mol
Exact Mass348.96
IUPAC Name2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)sc1Cl
InChIInChI=1S/C12H9ClFNO4S2/c1-6-4-10(20-11(6)13)21(18,19)15-9-3-2-7(14)5-8(9)12(16)17/h2-5,15H,1H3,(H,16,17)
InChIKeyBENPOPFZXQOBTI-UHFFFAOYSA-N
XLogP3.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 103099599
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 103099646
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
5-[(2,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311182
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 82016998
N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099479
5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 103099977
5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103752852
3-[[5-chloro-4-(2,5-difluorophenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 66799807
2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 61061552
3-methyl-5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115485
N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 107334288

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid (CID 103099620) is 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid is Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)sc1Cl.
What is the InChIKey of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid?
The InChIKey is BENPOPFZXQOBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4S2/c1-6-4-10(20-11(6)13)21(18,19)15-9-3-2-7(14)5-8(9)12(16)17/h2-5,15H,1H3,(H,16,17).
What are the key properties of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid?
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid has a molecular weight of 349.79 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid is sourced from PubChem (CID 103099620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).