N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide

C15H13N3O3S2 — CID 541218

IUPACN-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H13N3O3S2/c1-10(19)16-11-6-8-12(9-7-11)23(20,21)18-15-17-13-4-2-3-5-14(13)22-15/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyUFCIJXMPMHBRTO-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.06
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide

N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 541218) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID541218
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC NameN-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H13N3O3S2/c1-10(19)16-11-6-8-12(9-7-11)23(20,21)18-15-17-13-4-2-3-5-14(13)22-15/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyUFCIJXMPMHBRTO-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

2-Benzothiazolamine, 6-(methylsulfonyl)-
CID 87152
Anilinobenzothiazole
CID 230981
2-Amino-1,3-benzothiazole-6-sulfonamide
CID 734502
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
2-(Acetoacetamido)benzothiazole
CID 20820
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
1-(1,3-Benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 929625
N-(1,3-Benzothiazol-2-yl)-2-nitrobenzenesulfonamide
CID 591182
N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
CID 403571
2-Aminobenzothiazole-6-sulphonic acid
CID 89112
Acetamide, N-2-benzothiazolyl-
CID 350459

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide (CID 541218) is N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is UFCIJXMPMHBRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-10(19)16-11-6-8-12(9-7-11)23(20,21)18-15-17-13-4-2-3-5-14(13)22-15/h2-9H,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide?
N-[4-(1,3-benzothiazol-2-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-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 541218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).