2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide

C18H18ClN3O4S2 — CID 24568248

IUPAC2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3Cl)sc2c1
InChIInChI=1S/C18H18ClN3O4S2/c1-10(2)22-28(24,25)12-5-6-14(19)13(9-12)17(23)21-18-20-15-7-4-11(26-3)8-16(15)27-18/h4-10,22H,1-3H3,(H,20,21,23)
InChIKeyOPBUBATWFKBCHC-UHFFFAOYSA-N
MW439.95 g/mol
LogP3.90
Rot. Bonds6

About 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 24568248) has the molecular formula C18H18ClN3O4S2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID24568248
Molecular FormulaC18H18ClN3O4S2
Molecular Weight439.95 g/mol
Exact Mass439.04
IUPAC Name2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3Cl)sc2c1
InChIInChI=1S/C18H18ClN3O4S2/c1-10(2)22-28(24,25)12-5-6-14(19)13(9-12)17(23)21-18-20-15-7-4-11(26-3)8-16(15)27-18/h4-10,22H,1-3H3,(H,20,21,23)
InChIKeyOPBUBATWFKBCHC-UHFFFAOYSA-N
XLogP3.90
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17473219
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344302
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 8883217
2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 32935188
2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5082587
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 3827243
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2374730
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 40972942
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2596981
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 23799769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide (CID 24568248) is 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide is COc1ccc2nc(NC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3Cl)sc2c1.
What is the InChIKey of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is OPBUBATWFKBCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S2/c1-10(2)22-28(24,25)12-5-6-14(19)13(9-12)17(23)21-18-20-15-7-4-11(26-3)8-16(15)27-18/h4-10,22H,1-3H3,(H,20,21,23).
What are the key properties of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 439.95 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 24568248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).