2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C19H20ClN3O3S2 — CID 4800131

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C19H20ClN3O3S2/c1-4-23(5-2)28(25,26)14-7-8-16(20)15(11-14)19(24)22-13-6-9-17-18(10-13)27-12(3)21-17/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyQMPRZWDSUVCETG-UHFFFAOYSA-N
MW437.97 g/mol
LogP4.54
Rot. Bonds6

About 2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 4800131) has the molecular formula C19H20ClN3O3S2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID4800131
Molecular FormulaC19H20ClN3O3S2
Molecular Weight437.97 g/mol
Exact Mass437.06
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C19H20ClN3O3S2/c1-4-23(5-2)28(25,26)14-7-8-16(20)15(11-14)19(24)22-13-6-9-17-18(10-13)27-12(3)21-17/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyQMPRZWDSUVCETG-UHFFFAOYSA-N
XLogP4.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 4800131) is 2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3nc(C)sc3c2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is QMPRZWDSUVCETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S2/c1-4-23(5-2)28(25,26)14-7-8-16(20)15(11-14)19(24)22-13-6-9-17-18(10-13)27-12(3)21-17/h6-11H,4-5H2,1-3H3,(H,22,24).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 437.97 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 4800131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).