3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

C11H8Cl2N2O4S2 — CID 103414384

IUPAC3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2c(Cl)cc(C(=O)O)cc2Cl)s1
InChIInChI=1S/C11H8Cl2N2O4S2/c1-5-14-4-9(20-5)21(18,19)15-10-7(12)2-6(11(16)17)3-8(10)13/h2-4,15H,1H3,(H,16,17)
InChIKeyOIVQBQOMEFTTBC-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.26
Rot. Bonds4

About 3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 103414384) has the molecular formula C11H8Cl2N2O4S2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
PubChem CID103414384
Molecular FormulaC11H8Cl2N2O4S2
Molecular Weight367.24 g/mol
Exact Mass365.93
IUPAC Name3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2c(Cl)cc(C(=O)O)cc2Cl)s1
InChIInChI=1S/C11H8Cl2N2O4S2/c1-5-14-4-9(20-5)21(18,19)15-10-7(12)2-6(11(16)17)3-8(10)13/h2-4,15H,1H3,(H,16,17)
InChIKeyOIVQBQOMEFTTBC-UHFFFAOYSA-N
XLogP3.26
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (CID 103414384) is 3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is Cc1ncc(S(=O)(=O)Nc2c(Cl)cc(C(=O)O)cc2Cl)s1.
What is the InChIKey of 3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is OIVQBQOMEFTTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O4S2/c1-5-14-4-9(20-5)21(18,19)15-10-7(12)2-6(11(16)17)3-8(10)13/h2-4,15H,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid has a molecular weight of 367.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 103414384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).