4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C17H17N3O4S2 — CID 1356009

IUPAC4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1
InChIInChI=1S/C17H17N3O4S2/c1-20(2)26(22,23)13-7-4-11(5-8-13)16(21)19-17-18-14-9-6-12(24-3)10-15(14)25-17/h4-10H,1-3H3,(H,18,19,21)
InChIKeySIASPUHPEIMAHC-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.81
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 1356009) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID1356009
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1
InChIInChI=1S/C17H17N3O4S2/c1-20(2)26(22,23)13-7-4-11(5-8-13)16(21)19-17-18-14-9-6-12(24-3)10-15(14)25-17/h4-10H,1-3H3,(H,18,19,21)
InChIKeySIASPUHPEIMAHC-UHFFFAOYSA-N
XLogP2.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7105614
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-[butyl(methyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 4132032
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 27419877
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxy-N-methylanilino)sulfanylbenzamide
CID 139506275
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277
4-[butyl(methyl)sulfamoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 4673627

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 1356009) is 4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is SIASPUHPEIMAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-20(2)26(22,23)13-7-4-11(5-8-13)16(21)19-17-18-14-9-6-12(24-3)10-15(14)25-17/h4-10H,1-3H3,(H,18,19,21).
What are the key properties of 4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 1356009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).