2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid

C11H8ClFN2O5S — CID 81451707

IUPAC2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cc(F)c(Cl)c(C(=O)O)c2)on1
InChIInChI=1S/C11H8ClFN2O5S/c1-5-2-9(20-14-5)15-21(18,19)6-3-7(11(16)17)10(12)8(13)4-6/h2-4,15H,1H3,(H,16,17)
InChIKeyPYRAVQRLPUCPTI-UHFFFAOYSA-N
MW334.71 g/mol
LogP2.27
Rot. Bonds4

About 2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid

2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid (PubChem CID 81451707) has the molecular formula C11H8ClFN2O5S and a molecular weight of 334.71 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid
PubChem CID81451707
Molecular FormulaC11H8ClFN2O5S
Molecular Weight334.71 g/mol
Exact Mass333.98
IUPAC Name2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cc(F)c(Cl)c(C(=O)O)c2)on1
InChIInChI=1S/C11H8ClFN2O5S/c1-5-2-9(20-14-5)15-21(18,19)6-3-7(11(16)17)10(12)8(13)4-6/h2-4,15H,1H3,(H,16,17)
InChIKeyPYRAVQRLPUCPTI-UHFFFAOYSA-N
XLogP2.27
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(tert-butylsulfamoyl)-2-chloro-3-fluorobenzoic acid
CID 81461252
5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933926
2-chloro-3-fluoro-5-(4-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 83177835
2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid
CID 43440462
2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 81461406
2-chloro-5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-3-fluorobenzoic acid
CID 81452105
2-chloro-3-fluoro-5-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120518
2-chloro-3-fluoro-5-[(4-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 81450456
2-chloro-3-fluoro-5-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642752
2-chloro-5-(1-cyclopropylpropan-2-ylsulfamoyl)-3-fluorobenzoic acid
CID 81451923
3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 29037888
5-(azetidin-1-ylsulfonyl)-2-chloro-3-fluorobenzoic acid
CID 81461648

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid (CID 81451707) is 2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid is Cc1cc(NS(=O)(=O)c2cc(F)c(Cl)c(C(=O)O)c2)on1.
What is the InChIKey of 2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid?
The InChIKey is PYRAVQRLPUCPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O5S/c1-5-2-9(20-14-5)15-21(18,19)6-3-7(11(16)17)10(12)8(13)4-6/h2-4,15H,1H3,(H,16,17).
What are the key properties of 2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid?
2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid has a molecular weight of 334.71 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 81451707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).