4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid

C11H10ClN3O4S2 — CID 107641501

IUPAC4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid
SMILESCCc1nnc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)s1
InChIInChI=1S/C11H10ClN3O4S2/c1-2-9-13-14-11(20-9)15-21(18,19)8-5-6(10(16)17)3-4-7(8)12/h3-5H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyYZPPJLJCRLWHKL-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.25
Rot. Bonds5

About 4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid

4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid (PubChem CID 107641501) has the molecular formula C11H10ClN3O4S2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid
PubChem CID107641501
Molecular FormulaC11H10ClN3O4S2
Molecular Weight347.81 g/mol
Exact Mass346.98
IUPAC Name4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid
SMILESCCc1nnc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)s1
InChIInChI=1S/C11H10ClN3O4S2/c1-2-9-13-14-11(20-9)15-21(18,19)8-5-6(10(16)17)3-4-7(8)12/h3-5H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyYZPPJLJCRLWHKL-UHFFFAOYSA-N
XLogP2.25
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2379114
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 19029493
4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617667
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]benzoic acid
CID 107641494
4-[[(E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 2299019
3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106000069
2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide
CID 106000088
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000129
4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106089720
4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzenesulfonamide
CID 103740801
4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 114911938
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106089754

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid (CID 107641501) is 4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid is CCc1nnc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)s1.
What is the InChIKey of 4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid?
The InChIKey is YZPPJLJCRLWHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S2/c1-2-9-13-14-11(20-9)15-21(18,19)8-5-6(10(16)17)3-4-7(8)12/h3-5H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid?
4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid has a molecular weight of 347.81 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 107641501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).