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

C15H10Cl2N2O4S2 — CID 10432094

IUPAC2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid
SMILESCc1nc2cc(NS(=O)(=O)c3cc(C(=O)O)c(Cl)cc3Cl)ccc2s1
InChIInChI=1S/C15H10Cl2N2O4S2/c1-7-18-12-4-8(2-3-13(12)24-7)19-25(22,23)14-5-9(15(20)21)10(16)6-11(14)17/h2-6,19H,1H3,(H,20,21)
InChIKeyLUXYFRHNNNOWFF-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.41
Rot. Bonds4

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

2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid (PubChem CID 10432094) has the molecular formula C15H10Cl2N2O4S2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid
PubChem CID10432094
Molecular FormulaC15H10Cl2N2O4S2
Molecular Weight417.30 g/mol
Exact Mass415.95
IUPAC Name2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid
SMILESCc1nc2cc(NS(=O)(=O)c3cc(C(=O)O)c(Cl)cc3Cl)ccc2s1
InChIInChI=1S/C15H10Cl2N2O4S2/c1-7-18-12-4-8(2-3-13(12)24-7)19-25(22,23)14-5-9(15(20)21)10(16)6-11(14)17/h2-6,19H,1H3,(H,20,21)
InChIKeyLUXYFRHNNNOWFF-UHFFFAOYSA-N
XLogP4.41
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 6918870
2,4,6-trichloro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 10409141
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 852255
2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
CID 29050395
N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3865821
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 47390474
N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide
CID 25040146
2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 51133066
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
N-[5-[(2-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379313
2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60703802

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid (CID 10432094) is 2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid is Cc1nc2cc(NS(=O)(=O)c3cc(C(=O)O)c(Cl)cc3Cl)ccc2s1.
What is the InChIKey of 2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid?
The InChIKey is LUXYFRHNNNOWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4S2/c1-7-18-12-4-8(2-3-13(12)24-7)19-25(22,23)14-5-9(15(20)21)10(16)6-11(14)17/h2-6,19H,1H3,(H,20,21).
What are the key properties of 2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid has a molecular weight of 417.30 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 10432094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).