2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

C15H11Cl2N3O3S2 — CID 5082587

IUPAC2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCNS(=O)(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1
InChIInChI=1S/C15H11Cl2N3O3S2/c1-18-25(22,23)9-3-5-12-13(7-9)24-15(19-12)20-14(21)10-6-8(16)2-4-11(10)17/h2-7,18H,1H3,(H,19,20,21)
InChIKeyVDEXNCVAKGEXAP-UHFFFAOYSA-N
MW416.31 g/mol
LogP3.76
Rot. Bonds4

About 2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 5082587) has the molecular formula C15H11Cl2N3O3S2 and a molecular weight of 416.31 g/mol. Its IUPAC name is 2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID5082587
Molecular FormulaC15H11Cl2N3O3S2
Molecular Weight416.31 g/mol
Exact Mass414.96
IUPAC Name2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCNS(=O)(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1
InChIInChI=1S/C15H11Cl2N3O3S2/c1-18-25(22,23)9-3-5-12-13(7-9)24-15(19-12)20-14(21)10-6-8(16)2-4-11(10)17/h2-7,18H,1H3,(H,19,20,21)
InChIKeyVDEXNCVAKGEXAP-UHFFFAOYSA-N
XLogP3.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 57422784
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 734500
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
5-chloro-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide
CID 3629778
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
CID 24568248
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3464222
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204
3,4,5-triethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3615359
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 8883217
2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
CID 7202838

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide (CID 5082587) is 2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide is CNS(=O)(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1.
What is the InChIKey of 2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is VDEXNCVAKGEXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S2/c1-18-25(22,23)9-3-5-12-13(7-9)24-15(19-12)20-14(21)10-6-8(16)2-4-11(10)17/h2-7,18H,1H3,(H,19,20,21).
What are the key properties of 2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 416.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 5082587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).