N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide

C15H12ClN3O3S2 — CID 46325489

IUPACN-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2s1
InChIInChI=1S/C15H12ClN3O3S2/c1-9(20)17-15-18-13-6-5-11(8-14(13)23-15)19-24(21,22)12-4-2-3-10(16)7-12/h2-8,19H,1H3,(H,17,18,20)
InChIKeyNKKHHDRSLRYJBL-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.71
Rot. Bonds4

About N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide

N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46325489) has the molecular formula C15H12ClN3O3S2 and a molecular weight of 381.87 g/mol. Its IUPAC name is N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
PubChem CID46325489
Molecular FormulaC15H12ClN3O3S2
Molecular Weight381.87 g/mol
Exact Mass381.00
IUPAC NameN-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2s1
InChIInChI=1S/C15H12ClN3O3S2/c1-9(20)17-15-18-13-6-5-11(8-14(13)23-15)19-24(21,22)12-4-2-3-10(16)7-12/h2-8,19H,1H3,(H,17,18,20)
InChIKeyNKKHHDRSLRYJBL-UHFFFAOYSA-N
XLogP3.71
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971908
N-[5-[(3-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971915
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886
N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
CID 141164540
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide
CID 55768437
N-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971880
N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide
CID 46325493
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9319554
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
CID 46328625
1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-chloro-4-methylphenyl)urea
CID 46382550
N-[6-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325528

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide (CID 46325489) is N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2s1.
What is the InChIKey of N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is NKKHHDRSLRYJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S2/c1-9(20)17-15-18-13-6-5-11(8-14(13)23-15)19-24(21,22)12-4-2-3-10(16)7-12/h2-8,19H,1H3,(H,17,18,20).
What are the key properties of N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 381.87 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46325489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).