3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide

C17H17N3O4S2 — CID 99800913

IUPAC3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1nc2ccc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)cc2s1
InChIInChI=1S/C17H17N3O4S2/c1-20(2)16(21)11-5-4-6-13(9-11)26(22,23)19-12-7-8-14-15(10-12)25-17(18-14)24-3/h4-10,19H,1-3H3
InChIKeyJWFCHRXFXHQVSU-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.81
Rot. Bonds5

About 3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide

3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 99800913) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide
PubChem CID99800913
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1nc2ccc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)cc2s1
InChIInChI=1S/C17H17N3O4S2/c1-20(2)16(21)11-5-4-6-13(9-11)26(22,23)19-12-7-8-14-15(10-12)25-17(18-14)24-3/h4-10,19H,1-3H3
InChIKeyJWFCHRXFXHQVSU-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

3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629283
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391439
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 45354760
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[(4-chlorophenyl)sulfamoyl]-N-methylbenzamide
CID 25493934
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325489
N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide
CID 138996044
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide (CID 99800913) is 3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide is COc1nc2ccc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)cc2s1.
What is the InChIKey of 3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is JWFCHRXFXHQVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-20(2)16(21)11-5-4-6-13(9-11)26(22,23)19-12-7-8-14-15(10-12)25-17(18-14)24-3/h4-10,19H,1-3H3.
What are the key properties of 3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide?
3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide 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 3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 99800913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).