2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C19H20BrN3O4S2 — CID 32935188

IUPAC2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3cc(S(=O)(=O)NC(C)(C)C)ccc3Br)sc2c1
InChIInChI=1S/C19H20BrN3O4S2/c1-19(2,3)23-29(25,26)12-6-7-14(20)13(10-12)17(24)22-18-21-15-8-5-11(27-4)9-16(15)28-18/h5-10,23H,1-4H3,(H,21,22,24)
InChIKeyHJYKQJSIOGWGGN-UHFFFAOYSA-N
MW498.42 g/mol
LogP4.40
Rot. Bonds5

About 2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 32935188) has the molecular formula C19H20BrN3O4S2 and a molecular weight of 498.42 g/mol. Its IUPAC name is 2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID32935188
Molecular FormulaC19H20BrN3O4S2
Molecular Weight498.42 g/mol
Exact Mass497.01
IUPAC Name2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3cc(S(=O)(=O)NC(C)(C)C)ccc3Br)sc2c1
InChIInChI=1S/C19H20BrN3O4S2/c1-19(2,3)23-29(25,26)12-6-7-14(20)13(10-12)17(24)22-18-21-15-8-5-11(27-4)9-16(15)28-18/h5-10,23H,1-4H3,(H,21,22,24)
InChIKeyHJYKQJSIOGWGGN-UHFFFAOYSA-N
XLogP4.40
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
CID 24568248
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2374730
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344302
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691334
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17473219
2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 32896855
5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 18126513
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 32935188) is 2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3cc(S(=O)(=O)NC(C)(C)C)ccc3Br)sc2c1.
What is the InChIKey of 2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HJYKQJSIOGWGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O4S2/c1-19(2,3)23-29(25,26)12-6-7-14(20)13(10-12)17(24)22-18-21-15-8-5-11(27-4)9-16(15)28-18/h5-10,23H,1-4H3,(H,21,22,24).
What are the key properties of 2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 498.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 32935188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).