N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide

C15H13N3O3S2 — CID 74225339

IUPACN-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)cc1
InChIInChI=1S/C15H13N3O3S2/c1-10(19)17-11-2-5-13(6-3-11)23(20,21)18-12-4-7-14-15(8-12)22-9-16-14/h2-9,18H,1H3,(H,17,19)
InChIKeyVIBZJTJVLYOLPY-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.06
Rot. Bonds4

About N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide

N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide (PubChem CID 74225339) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide
PubChem CID74225339
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC NameN-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)cc1
InChIInChI=1S/C15H13N3O3S2/c1-10(19)17-11-2-5-13(6-3-11)23(20,21)18-12-4-7-14-15(8-12)22-9-16-14/h2-9,18H,1H3,(H,17,19)
InChIKeyVIBZJTJVLYOLPY-UHFFFAOYSA-N
XLogP3.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide
CID 107801222
N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide
CID 107801209
N-(1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4990247
N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
CID 110728768
N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
CID 59823085
N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 97030412
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
CID 8841631
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
3-[(1,3-benzothiazole-6-carbonylamino)carbamoyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 24642868
N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 47784079

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide (CID 74225339) is N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide?
The InChIKey is VIBZJTJVLYOLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-10(19)17-11-2-5-13(6-3-11)23(20,21)18-12-4-7-14-15(8-12)22-9-16-14/h2-9,18H,1H3,(H,17,19).
What are the key properties of N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide?
N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 74225339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).